2-N-(cyclohex-3-en-1-ylmethyl)-3-methylbutane-1,2-diamine

C12H24N2 — CID 106345090

IUPAC2-N-(cyclohex-3-en-1-ylmethyl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(CN)NCC1CC=CCC1
InChIInChI=1S/C12H24N2/c1-10(2)12(8-13)14-9-11-6-4-3-5-7-11/h3-4,10-12,14H,5-9,13H2,1-2H3
InChIKeyXFSUTFUCZSJCSH-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.92
Rot. Bonds5

About 2-N-(cyclohex-3-en-1-ylmethyl)-3-methylbutane-1,2-diamine

2-N-(cyclohex-3-en-1-ylmethyl)-3-methylbutane-1,2-diamine (PubChem CID 106345090) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-N-(cyclohex-3-en-1-ylmethyl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclohex-3-en-1-ylmethyl)-3-methylbutane-1,2-diamine
PubChem CID106345090
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-N-(cyclohex-3-en-1-ylmethyl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(CN)NCC1CC=CCC1
InChIInChI=1S/C12H24N2/c1-10(2)12(8-13)14-9-11-6-4-3-5-7-11/h3-4,10-12,14H,5-9,13H2,1-2H3
InChIKeyXFSUTFUCZSJCSH-UHFFFAOYSA-N
XLogP1.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.92
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

N-(cyclohex-3-en-1-ylmethyl)-1-methoxy-4-methylpentan-3-amine
CID 115713339
1-cyclobutyl-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine
CID 115713345
N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43223359
2-(cyclohex-3-en-1-ylmethylamino)propanoic acid
CID 61499571
(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
CID 40641093
N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine
CID 43225625
(2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide
CID 103838457
(4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol
CID 97051708
methyl 2-(cyclohex-3-en-1-ylmethylamino)-4-methylpentanoate
CID 43688891
N-(cyclohex-3-en-1-ylmethyl)-1-thiophen-3-ylethanamine
CID 62091594
(1S)-N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-4-ylethanamine
CID 81405941
(2R)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol
CID 103924278

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclohex-3-en-1-ylmethyl)-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(cyclohex-3-en-1-ylmethyl)-3-methylbutane-1,2-diamine (CID 106345090) is 2-N-(cyclohex-3-en-1-ylmethyl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclohex-3-en-1-ylmethyl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(cyclohex-3-en-1-ylmethyl)-3-methylbutane-1,2-diamine is CC(C)C(CN)NCC1CC=CCC1.
What is the InChIKey of 2-N-(cyclohex-3-en-1-ylmethyl)-3-methylbutane-1,2-diamine?
The InChIKey is XFSUTFUCZSJCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(2)12(8-13)14-9-11-6-4-3-5-7-11/h3-4,10-12,14H,5-9,13H2,1-2H3.
What are the key properties of 2-N-(cyclohex-3-en-1-ylmethyl)-3-methylbutane-1,2-diamine?
2-N-(cyclohex-3-en-1-ylmethyl)-3-methylbutane-1,2-diamine has a molecular weight of 196.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclohex-3-en-1-ylmethyl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 106345090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).