3-N-but-1-en-2-yl-2-N-(2,5-dimethyl-4-methylidenehexan-3-yl)-2-N-methylpent-1-ene-2,3-diamine

C19H36N2 — CID 126704532

IUPAC3-N-but-1-en-2-yl-2-N-(2,5-dimethyl-4-methylidenehexan-3-yl)-2-N-methylpent-1-ene-2,3-diamine
SMILESC=C(CC)NC(CC)C(=C)N(C)C(C(=C)C(C)C)C(C)C
InChIInChI=1S/C19H36N2/c1-11-15(7)20-18(12-2)17(9)21(10)19(14(5)6)16(8)13(3)4/h13-14,18-20H,7-9,11-12H2,1-6,10H3
InChIKeyRLXPYQUIPNTDEJ-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.96
Rot. Bonds10

About 3-N-but-1-en-2-yl-2-N-(2,5-dimethyl-4-methylidenehexan-3-yl)-2-N-methylpent-1-ene-2,3-diamine

3-N-but-1-en-2-yl-2-N-(2,5-dimethyl-4-methylidenehexan-3-yl)-2-N-methylpent-1-ene-2,3-diamine (PubChem CID 126704532) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 3-N-but-1-en-2-yl-2-N-(2,5-dimethyl-4-methylidenehexan-3-yl)-2-N-methylpent-1-ene-2,3-diamine.

Molecular Properties

Compound Name3-N-but-1-en-2-yl-2-N-(2,5-dimethyl-4-methylidenehexan-3-yl)-2-N-methylpent-1-ene-2,3-diamine
PubChem CID126704532
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name3-N-but-1-en-2-yl-2-N-(2,5-dimethyl-4-methylidenehexan-3-yl)-2-N-methylpent-1-ene-2,3-diamine
SMILESC=C(CC)NC(CC)C(=C)N(C)C(C(=C)C(C)C)C(C)C
InChIInChI=1S/C19H36N2/c1-11-15(7)20-18(12-2)17(9)21(10)19(14(5)6)16(8)13(3)4/h13-14,18-20H,7-9,11-12H2,1-6,10H3
InChIKeyRLXPYQUIPNTDEJ-UHFFFAOYSA-N
XLogP4.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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'-fluoro-N'-[2-(4-methylpent-1-en-2-ylamino)ethyl]-N-(4-methylpentyl)ethane-1,2-diamine
CID 139472312
2-N-[3-(1-fluoropentan-2-ylamino)but-3-en-2-yl]-5-methylhex-1-ene-2,3-diamine
CID 155442418
2-N,5-dimethyl-1-N-[2-[3-(methylamino)prop-1-en-2-ylamino]but-3-enyl]-1-N-(2,2,2-trifluoroethyl)hept-6-ene-1,2,6-triamine
CID 174259071
2-N-(2-methylpent-1-en-3-yl)-3-N-prop-1-en-2-ylpent-1-ene-2,3-diamine
CID 58987143
N,5-dimethyl-2-methylidene-1-propan-2-ylazepan-3-amine
CID 60074633
(3S)-N,4-dimethyl-2-(2-methylpiperidin-1-yl)pent-1-en-3-amine
CID 89058642
1-N,1-N,6-N-trimethyl-6-N-(3-methylbutyl)hept-6-ene-1,5,6-triamine
CID 124082552
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

Frequently Asked Questions

What is the IUPAC name of 3-N-but-1-en-2-yl-2-N-(2,5-dimethyl-4-methylidenehexan-3-yl)-2-N-methylpent-1-ene-2,3-diamine?
The IUPAC name of 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) is 3-N-but-1-en-2-yl-2-N-(2,5-dimethyl-4-methylidenehexan-3-yl)-2-N-methylpent-1-ene-2,3-diamine.
What is the SMILES notation for 3-N-but-1-en-2-yl-2-N-(2,5-dimethyl-4-methylidenehexan-3-yl)-2-N-methylpent-1-ene-2,3-diamine?
The canonical SMILES for 3-N-but-1-en-2-yl-2-N-(2,5-dimethyl-4-methylidenehexan-3-yl)-2-N-methylpent-1-ene-2,3-diamine is C=C(CC)NC(CC)C(=C)N(C)C(C(=C)C(C)C)C(C)C.
What is the InChIKey of 3-N-but-1-en-2-yl-2-N-(2,5-dimethyl-4-methylidenehexan-3-yl)-2-N-methylpent-1-ene-2,3-diamine?
The InChIKey is RLXPYQUIPNTDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-11-15(7)20-18(12-2)17(9)21(10)19(14(5)6)16(8)13(3)4/h13-14,18-20H,7-9,11-12H2,1-6,10H3.
What are the key properties of 3-N-but-1-en-2-yl-2-N-(2,5-dimethyl-4-methylidenehexan-3-yl)-2-N-methylpent-1-ene-2,3-diamine?
3-N-but-1-en-2-yl-2-N-(2,5-dimethyl-4-methylidenehexan-3-yl)-2-N-methylpent-1-ene-2,3-diamine has a molecular weight of 292.51 g/mol, XLogP of 4.96, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-but-1-en-2-yl-2-N-(2,5-dimethyl-4-methylidenehexan-3-yl)-2-N-methylpent-1-ene-2,3-diamine is sourced from PubChem (CID 126704532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).