5-N-[3-[tert-butyl(methyl)amino]pent-1-en-2-yl]-7,7-dimethyl-6-methylideneoctane-1,5-diamine

C21H43N3 — CID 129103728

IUPAC5-N-[3-[tert-butyl(methyl)amino]pent-1-en-2-yl]-7,7-dimethyl-6-methylideneoctane-1,5-diamine
SMILESC=C(NC(CCCCN)C(=C)C(C)(C)C)C(CC)N(C)C(C)(C)C
InChIInChI=1S/C21H43N3/c1-11-19(24(10)21(7,8)9)17(3)23-18(14-12-13-15-22)16(2)20(4,5)6/h18-19,23H,2-3,11-15,22H2,1,4-10H3
InChIKeyGORCDELSAVQIOR-UHFFFAOYSA-N
MW337.60 g/mol
LogP4.70
Rot. Bonds10

About 5-N-[3-[tert-butyl(methyl)amino]pent-1-en-2-yl]-7,7-dimethyl-6-methylideneoctane-1,5-diamine

5-N-[3-[tert-butyl(methyl)amino]pent-1-en-2-yl]-7,7-dimethyl-6-methylideneoctane-1,5-diamine (PubChem CID 129103728) has the molecular formula C21H43N3 and a molecular weight of 337.60 g/mol. Its IUPAC name is 5-N-[3-[tert-butyl(methyl)amino]pent-1-en-2-yl]-7,7-dimethyl-6-methylideneoctane-1,5-diamine.

Molecular Properties

Compound Name5-N-[3-[tert-butyl(methyl)amino]pent-1-en-2-yl]-7,7-dimethyl-6-methylideneoctane-1,5-diamine
PubChem CID129103728
Molecular FormulaC21H43N3
Molecular Weight337.60 g/mol
Exact Mass337.35
IUPAC Name5-N-[3-[tert-butyl(methyl)amino]pent-1-en-2-yl]-7,7-dimethyl-6-methylideneoctane-1,5-diamine
SMILESC=C(NC(CCCCN)C(=C)C(C)(C)C)C(CC)N(C)C(C)(C)C
InChIInChI=1S/C21H43N3/c1-11-19(24(10)21(7,8)9)17(3)23-18(14-12-13-15-22)16(2)20(4,5)6/h18-19,23H,2-3,11-15,22H2,1,4-10H3
InChIKeyGORCDELSAVQIOR-UHFFFAOYSA-N
XLogP4.70
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-N-[3-[tert-butyl(methyl)amino]pent-1-en-2-yl]-7,7-dimethyl-6-methylideneoctane-1,5-diamine with MolForge

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Related Compounds

2-N-(1-fluoro-6,6-dimethyl-5-methylideneheptan-4-yl)-4-methylpent-1-ene-2,3-diamine
CID 132222077
3-N-tert-butyl-2-N-(1-fluoro-6,6-dimethyl-5-methylideneheptan-4-yl)-4-methylpent-1-ene-2,3-diamine
CID 134403276
N-deuterio-N-methyl-1-(2,3,3,4,4,5,5,6,6-nonamethyl-1-propan-2-ylpiperidin-2-yl)ethenamine
CID 90246911
4,4-diethyl-5-methyl-2-N-(3-methylbut-1-en-2-yl)-3-methylideneheptane-2,5-diamine
CID 121478737
5-N,5-N-dimethyl-6-N-(2-methylheptan-3-yl)hept-6-ene-1,5,6-triamine
CID 126537911
1-N-methyl-6-N-(2-methylheptan-3-yl)hept-6-ene-1,5,6-triamine
CID 126538746
3-N-tert-butyl-2-N-(2,2-dimethyl-3-methylideneoctan-4-yl)-3-N,4-dimethylpent-1-ene-2,3-diamine
CID 126656903
3-N-but-1-en-2-yl-2-N-(2,5-dimethyl-4-methylidenehexan-3-yl)-2-N-methylpent-1-ene-2,3-diamine
CID 126704532
2-N-(2,2-dimethyl-3-methylidenenonan-4-yl)-2-N,3-N-dimethylpent-1-ene-2,3-diamine
CID 129103542
3-N-tert-butyl-2-N-(2,2-dimethyl-3-methylideneoctan-4-yl)-4-methylpent-1-ene-2,3-diamine
CID 129103619
7-cyclopentadecyl-2-N-methyl-6-methylidene-3-N-prop-1-en-2-yloct-1-ene-2,3-diamine
CID 130355901
3-N-(4,4-dimethylpent-1-en-2-yl)-5-methyl-2-N-(2,4,4-trimethylpent-1-en-3-yl)hex-1-ene-2,3-diamine
CID 130373753

Frequently Asked Questions

What is the IUPAC name of 5-N-[3-[tert-butyl(methyl)amino]pent-1-en-2-yl]-7,7-dimethyl-6-methylideneoctane-1,5-diamine?
The IUPAC name of 5-N-[3-[tert-butyl(methyl)amino]pent-1-en-2-yl]-7,7-dimethyl-6-methylideneoctane-1,5-diamine (CID 129103728) is 5-N-[3-[tert-butyl(methyl)amino]pent-1-en-2-yl]-7,7-dimethyl-6-methylideneoctane-1,5-diamine.
What is the SMILES notation for 5-N-[3-[tert-butyl(methyl)amino]pent-1-en-2-yl]-7,7-dimethyl-6-methylideneoctane-1,5-diamine?
The canonical SMILES for 5-N-[3-[tert-butyl(methyl)amino]pent-1-en-2-yl]-7,7-dimethyl-6-methylideneoctane-1,5-diamine is C=C(NC(CCCCN)C(=C)C(C)(C)C)C(CC)N(C)C(C)(C)C.
What is the InChIKey of 5-N-[3-[tert-butyl(methyl)amino]pent-1-en-2-yl]-7,7-dimethyl-6-methylideneoctane-1,5-diamine?
The InChIKey is GORCDELSAVQIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N3/c1-11-19(24(10)21(7,8)9)17(3)23-18(14-12-13-15-22)16(2)20(4,5)6/h18-19,23H,2-3,11-15,22H2,1,4-10H3.
What are the key properties of 5-N-[3-[tert-butyl(methyl)amino]pent-1-en-2-yl]-7,7-dimethyl-6-methylideneoctane-1,5-diamine?
5-N-[3-[tert-butyl(methyl)amino]pent-1-en-2-yl]-7,7-dimethyl-6-methylideneoctane-1,5-diamine has a molecular weight of 337.60 g/mol, XLogP of 4.70, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-[tert-butyl(methyl)amino]pent-1-en-2-yl]-7,7-dimethyl-6-methylideneoctane-1,5-diamine is sourced from PubChem (CID 129103728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).