2-N-butyl-3-N,5-dimethylhex-1-ene-2,3-diamine

C12H26N2 — CID 134365827

IUPAC2-N-butyl-3-N,5-dimethylhex-1-ene-2,3-diamine
SMILESC=C(NCCCC)C(CC(C)C)NC
InChIInChI=1S/C12H26N2/c1-6-7-8-14-11(4)12(13-5)9-10(2)3/h10,12-14H,4,6-9H2,1-3,5H3
InChIKeyNHWXTJBBQXWTSI-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.52
Rot. Bonds8

About 2-N-butyl-3-N,5-dimethylhex-1-ene-2,3-diamine

2-N-butyl-3-N,5-dimethylhex-1-ene-2,3-diamine (PubChem CID 134365827) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-N-butyl-3-N,5-dimethylhex-1-ene-2,3-diamine.

Molecular Properties

Compound Name2-N-butyl-3-N,5-dimethylhex-1-ene-2,3-diamine
PubChem CID134365827
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-N-butyl-3-N,5-dimethylhex-1-ene-2,3-diamine
SMILESC=C(NCCCC)C(CC(C)C)NC
InChIInChI=1S/C12H26N2/c1-6-7-8-14-11(4)12(13-5)9-10(2)3/h10,12-14H,4,6-9H2,1-3,5H3
InChIKeyNHWXTJBBQXWTSI-UHFFFAOYSA-N
XLogP2.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
1-[(4S)-4-(difluoromethyl)pyrrolidin-2-yl]-N-methylethenamine
CID 162598593
3-ethyl-4-methyl-N-(2-methylpent-1-en-3-yl)penta-1,4-dien-2-amine
CID 57525948
3-methyl-N-propan-2-ylpent-1-en-2-amine
CID 57633818
N-(1-piperidin-3-ylethenyl)propan-2-amine
CID 58450029
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
N-[(3-ethylpiperidin-2-yl)methyl]but-1-en-2-amine
CID 66579774
(3S)-N-but-1-en-2-yl-4-methyl-2-pyrrolidin-1-ylpent-1-en-3-amine
CID 70645871
N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylprop-2-enyl]but-1-en-2-amine
CID 70645878
N,3,5-trimethylhex-1-en-2-amine
CID 88267663

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-3-N,5-dimethylhex-1-ene-2,3-diamine?
The IUPAC name of 2-N-butyl-3-N,5-dimethylhex-1-ene-2,3-diamine (CID 134365827) is 2-N-butyl-3-N,5-dimethylhex-1-ene-2,3-diamine.
What is the SMILES notation for 2-N-butyl-3-N,5-dimethylhex-1-ene-2,3-diamine?
The canonical SMILES for 2-N-butyl-3-N,5-dimethylhex-1-ene-2,3-diamine is C=C(NCCCC)C(CC(C)C)NC.
What is the InChIKey of 2-N-butyl-3-N,5-dimethylhex-1-ene-2,3-diamine?
The InChIKey is NHWXTJBBQXWTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-6-7-8-14-11(4)12(13-5)9-10(2)3/h10,12-14H,4,6-9H2,1-3,5H3.
What are the key properties of 2-N-butyl-3-N,5-dimethylhex-1-ene-2,3-diamine?
2-N-butyl-3-N,5-dimethylhex-1-ene-2,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-3-N,5-dimethylhex-1-ene-2,3-diamine is sourced from PubChem (CID 134365827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).