(4S)-4-N-[1-(2,4-dimethylpent-1-en-3-ylamino)ethenyl]-7,7-dimethyl-1-N-[1-(methylamino)ethenyl]-5-methylideneoctane-1,4-diamine

C23H44N4 — CID 142182261

IUPAC(4S)-4-N-[1-(2,4-dimethylpent-1-en-3-ylamino)ethenyl]-7,7-dimethyl-1-N-[1-(methylamino)ethenyl]-5-methylideneoctane-1,4-diamine
SMILESC=C(NC)NCCC[C@H](NC(=C)NC(C(=C)C)C(C)C)C(=C)CC(C)(C)C
InChIInChI=1S/C23H44N4/c1-16(2)22(17(3)4)27-20(7)26-21(18(5)15-23(8,9)10)13-12-14-25-19(6)24-11/h17,21-22,24-27H,1,5-7,12-15H2,2-4,8-11H3/t21-,22?/m0/s1
InChIKeyJNLPCZOACCURLM-HMTLIYDFSA-N
MW376.63 g/mol
LogP4.66
Rot. Bonds14

About (4S)-4-N-[1-(2,4-dimethylpent-1-en-3-ylamino)ethenyl]-7,7-dimethyl-1-N-[1-(methylamino)ethenyl]-5-methylideneoctane-1,4-diamine

(4S)-4-N-[1-(2,4-dimethylpent-1-en-3-ylamino)ethenyl]-7,7-dimethyl-1-N-[1-(methylamino)ethenyl]-5-methylideneoctane-1,4-diamine (PubChem CID 142182261) has the molecular formula C23H44N4 and a molecular weight of 376.63 g/mol. Its IUPAC name is (4S)-4-N-[1-(2,4-dimethylpent-1-en-3-ylamino)ethenyl]-7,7-dimethyl-1-N-[1-(methylamino)ethenyl]-5-methylideneoctane-1,4-diamine.

Molecular Properties

Compound Name(4S)-4-N-[1-(2,4-dimethylpent-1-en-3-ylamino)ethenyl]-7,7-dimethyl-1-N-[1-(methylamino)ethenyl]-5-methylideneoctane-1,4-diamine
PubChem CID142182261
Molecular FormulaC23H44N4
Molecular Weight376.63 g/mol
Exact Mass376.36
IUPAC Name(4S)-4-N-[1-(2,4-dimethylpent-1-en-3-ylamino)ethenyl]-7,7-dimethyl-1-N-[1-(methylamino)ethenyl]-5-methylideneoctane-1,4-diamine
SMILESC=C(NC)NCCC[C@H](NC(=C)NC(C(=C)C)C(C)C)C(=C)CC(C)(C)C
InChIInChI=1S/C23H44N4/c1-16(2)22(17(3)4)27-20(7)26-21(18(5)15-23(8,9)10)13-12-14-25-19(6)24-11/h17,21-22,24-27H,1,5-7,12-15H2,2-4,8-11H3/t21-,22?/m0/s1
InChIKeyJNLPCZOACCURLM-HMTLIYDFSA-N
XLogP4.66
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 54.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-N-(1-aminoethenyl)-6-methyl-5-methylideneheptane-1,4-diamine
CID 129109537
1-N-(3,3,6,6,8,9-hexamethylundec-10-enyl)-1-N'-(2,2,5,5-tetramethyloctyl)ethene-1,1-diamine
CID 134171508
1-N'-(4-ethenyl-10-methylundecan-2-yl)-1-N'-methyl-1-N-pentan-2-ylethene-1,1-diamine
CID 134482330
1-N'-(4-methyloctan-4-yl)-1-N-(2,4,5-trimethylhex-1-en-3-yl)ethene-1,1-diamine
CID 135171724
1-N'-[(4S)-2,4-dimethylheptan-4-yl]-1-N-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine;4,6-dimethyl-3-methylideneoct-1-en-2-amine;ethane;(4S)-3-ethyl-2,5-dimethyl-4-propan-2-ylhept-1-ene
CID 143352288
(5S)-5-tert-butyl-4-methyl-3-methylideneoctane;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine;ethane
CID 143355946
4-tert-butyl-2,3-dimethylhept-1-ene;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane;2-methylbutane;1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine;2-methylprop-1-ene
CID 143357063
1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2,2-dimethylpropyl)ethene-1,1-diamine;ethane;ethene;3-methylheptane;2-methyl-3-methylidenehex-1-ene;2-methylpropane;propane
CID 143357239
butane;2,4-dimethyl-3-methylidenehept-1-ene;ethane;ethylcyclopropane;5-ethyl-2,3,6,6-tetramethylhept-1-ene;1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine
CID 143359232
3-(2,4-dimethylhexan-3-yl)-7,7-dimethyl-5-methylidene-2-N-[3-methylidene-2-(propylamino)hept-1-en-4-yl]-6-N-[1-(2,2,6-trimethylhept-6-en-3-ylamino)ethenyl]oct-1-ene-2,6-diamine;ethane
CID 143363444
1-N'-(3,4-diethyl-5-methyloct-1-en-2-yl)-1-N-[(2S)-heptan-2-yl]ethane-1,1-diamine
CID 156221609
5-N,7,7-trimethyl-6-methylidene-5-N-(3-methylpent-1-en-2-yl)octane-1,5-diamine
CID 156255064

Frequently Asked Questions

What is the IUPAC name of (4S)-4-N-[1-(2,4-dimethylpent-1-en-3-ylamino)ethenyl]-7,7-dimethyl-1-N-[1-(methylamino)ethenyl]-5-methylideneoctane-1,4-diamine?
The IUPAC name of (4S)-4-N-[1-(2,4-dimethylpent-1-en-3-ylamino)ethenyl]-7,7-dimethyl-1-N-[1-(methylamino)ethenyl]-5-methylideneoctane-1,4-diamine (CID 142182261) is (4S)-4-N-[1-(2,4-dimethylpent-1-en-3-ylamino)ethenyl]-7,7-dimethyl-1-N-[1-(methylamino)ethenyl]-5-methylideneoctane-1,4-diamine.
What is the SMILES notation for (4S)-4-N-[1-(2,4-dimethylpent-1-en-3-ylamino)ethenyl]-7,7-dimethyl-1-N-[1-(methylamino)ethenyl]-5-methylideneoctane-1,4-diamine?
The canonical SMILES for (4S)-4-N-[1-(2,4-dimethylpent-1-en-3-ylamino)ethenyl]-7,7-dimethyl-1-N-[1-(methylamino)ethenyl]-5-methylideneoctane-1,4-diamine is C=C(NC)NCCC[C@H](NC(=C)NC(C(=C)C)C(C)C)C(=C)CC(C)(C)C.
What is the InChIKey of (4S)-4-N-[1-(2,4-dimethylpent-1-en-3-ylamino)ethenyl]-7,7-dimethyl-1-N-[1-(methylamino)ethenyl]-5-methylideneoctane-1,4-diamine?
The InChIKey is JNLPCZOACCURLM-HMTLIYDFSA-N. The full InChI is InChI=1S/C23H44N4/c1-16(2)22(17(3)4)27-20(7)26-21(18(5)15-23(8,9)10)13-12-14-25-19(6)24-11/h17,21-22,24-27H,1,5-7,12-15H2,2-4,8-11H3/t21-,22?/m0/s1.
What are the key properties of (4S)-4-N-[1-(2,4-dimethylpent-1-en-3-ylamino)ethenyl]-7,7-dimethyl-1-N-[1-(methylamino)ethenyl]-5-methylideneoctane-1,4-diamine?
(4S)-4-N-[1-(2,4-dimethylpent-1-en-3-ylamino)ethenyl]-7,7-dimethyl-1-N-[1-(methylamino)ethenyl]-5-methylideneoctane-1,4-diamine has a molecular weight of 376.63 g/mol, XLogP of 4.66, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-N-[1-(2,4-dimethylpent-1-en-3-ylamino)ethenyl]-7,7-dimethyl-1-N-[1-(methylamino)ethenyl]-5-methylideneoctane-1,4-diamine is sourced from PubChem (CID 142182261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).