1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine

C26H48N2 — CID 143355947

IUPAC1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine
SMILESC=C(CCCC)CCC(NC(=C)NC(C(=C)C)C1(C)CCCCC1)C(C)(C)C
InChIInChI=1S/C26H48N2/c1-10-11-15-21(4)16-17-23(25(6,7)8)27-22(5)28-24(20(2)3)26(9)18-13-12-14-19-26/h23-24,27-28H,2,4-5,10-19H2,1,3,6-9H3
InChIKeyXBQDGPKSZLEMEJ-UHFFFAOYSA-N
MW388.68 g/mol
LogP7.49
Rot. Bonds12

About 1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine

1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine (PubChem CID 143355947) has the molecular formula C26H48N2 and a molecular weight of 388.68 g/mol. Its IUPAC name is 1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine
PubChem CID143355947
Molecular FormulaC26H48N2
Molecular Weight388.68 g/mol
Exact Mass388.38
IUPAC Name1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine
SMILESC=C(CCCC)CCC(NC(=C)NC(C(=C)C)C1(C)CCCCC1)C(C)(C)C
InChIInChI=1S/C26H48N2/c1-10-11-15-21(4)16-17-23(25(6,7)8)27-22(5)28-24(20(2)3)26(9)18-13-12-14-19-26/h23-24,27-28H,2,4-5,10-19H2,1,3,6-9H3
InChIKeyXBQDGPKSZLEMEJ-UHFFFAOYSA-N
XLogP7.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.68
LogP ≤ 57.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-N,5,5-trimethyl-7-methylidenenonan-2-amine
CID 91004662
1-N'-(4-methyloctan-4-yl)-1-N-(2,4,5-trimethylhex-1-en-3-yl)ethene-1,1-diamine
CID 135171724
1-[(1S)-1-cyclohexyl-3,3-dimethyl-2-methylidenebutyl]-3-ethylurea;ethane;molecular hydrogen
CID 143025409
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
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
1-N'-(1-cyclohexylprop-2-enyl)-1-N-(2,2-dimethylpentan-3-yl)ethene-1,1-diamine;2,4-dimethyl-3-methylidenehept-1-ene;4-(2,2-dimethylpropyl)-1-methyl-2-prop-1-en-2-ylpyrrolidine;ethane;2-methylpropane;2-methylprop-1-ene;pent-1-ene
CID 143358977
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
2-N-[(1-propylcyclohexyl)methyl]hept-1-ene-2,3,6-triamine
CID 167104256
1-N-[1-[4-[[ethyl-[2-methyl-1-(methylamino)propyl]amino]methyl]cyclohexyl]ethenyl]-6-methylideneoctane-1,5-diamine
CID 169955157
5-N-[1-[[(Z,7S)-2,2-dimethyl-4,8-dimethylidenehexadec-13-en-7-yl]amino]ethenyl]-8,8-dimethyl-6-methylidenenonane-1,5-diamine;ethane
CID 176994715

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine?
The IUPAC name of 1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine (CID 143355947) is 1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine.
What is the SMILES notation for 1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine?
The canonical SMILES for 1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine is C=C(CCCC)CCC(NC(=C)NC(C(=C)C)C1(C)CCCCC1)C(C)(C)C.
What is the InChIKey of 1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine?
The InChIKey is XBQDGPKSZLEMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N2/c1-10-11-15-21(4)16-17-23(25(6,7)8)27-22(5)28-24(20(2)3)26(9)18-13-12-14-19-26/h23-24,27-28H,2,4-5,10-19H2,1,3,6-9H3.
What are the key properties of 1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine?
1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine has a molecular weight of 388.68 g/mol, XLogP of 7.49, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine is sourced from PubChem (CID 143355947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).