(4-butyliminocyclohex-2-en-1-yl)methanamine

C11H20N2 — CID 123602996

IUPAC(4-butyliminocyclohex-2-en-1-yl)methanamine
SMILESCCCC/N=C1/C=CC(CN)CC1
InChIInChI=1S/C11H20N2/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4,6,10H,2-3,5,7-9,12H2,1H3/b13-11-
InChIKeyVALVJCVPZYBQBC-QBFSEMIESA-N
MW180.29 g/mol
LogP2.15
Rot. Bonds4

About (4-butyliminocyclohex-2-en-1-yl)methanamine

(4-butyliminocyclohex-2-en-1-yl)methanamine (PubChem CID 123602996) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (4-butyliminocyclohex-2-en-1-yl)methanamine.

Molecular Properties

Compound Name(4-butyliminocyclohex-2-en-1-yl)methanamine
PubChem CID123602996
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(4-butyliminocyclohex-2-en-1-yl)methanamine
SMILESCCCC/N=C1/C=CC(CN)CC1
InChIInChI=1S/C11H20N2/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4,6,10H,2-3,5,7-9,12H2,1H3/b13-11-
InChIKeyVALVJCVPZYBQBC-QBFSEMIESA-N
XLogP2.15
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-Imino-8-methyl-5-(2-methylpropylidene)nonan-1-amine
CID 53951183
[3-(2-methylpropylidene)-4H-pyridin-2-yl]methanamine
CID 70543434
2-Imino-2-(6-methylcyclohex-3-en-1-yl)ethanamine
CID 89074104
2-imino-2-[(6S)-6-methylcyclohex-3-en-1-yl]ethanamine
CID 89153885
Cyclopropyl-(3-methyl-2,3-dihydropyridin-6-yl)methanamine
CID 91269933
(Z)-3-ethyl-4-methyliminonon-5-en-1-amine
CID 91420602
(4Z,7Z)-6-ethylimino-N,2-dimethyl-7-propan-2-ylnona-4,7-dien-1-amine
CID 123139515
N-methyl-2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethanamine
CID 123142247
4-Imino-5,6-dimethylcyclohex-2-en-1-amine
CID 123143860
N-butyl-5-methylcyclohex-2-en-1-imine
CID 123167409
2-[(6-Methylcyclohex-2-en-1-ylidene)amino]ethanamine
CID 123211734
1-(5-Imino-6-methylcyclohex-3-en-1-yl)ethanamine
CID 123217836

Frequently Asked Questions

What is the IUPAC name of (4-butyliminocyclohex-2-en-1-yl)methanamine?
The IUPAC name of (4-butyliminocyclohex-2-en-1-yl)methanamine (CID 123602996) is (4-butyliminocyclohex-2-en-1-yl)methanamine.
What is the SMILES notation for (4-butyliminocyclohex-2-en-1-yl)methanamine?
The canonical SMILES for (4-butyliminocyclohex-2-en-1-yl)methanamine is CCCC/N=C1/C=CC(CN)CC1.
What is the InChIKey of (4-butyliminocyclohex-2-en-1-yl)methanamine?
The InChIKey is VALVJCVPZYBQBC-QBFSEMIESA-N. The full InChI is InChI=1S/C11H20N2/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4,6,10H,2-3,5,7-9,12H2,1H3/b13-11-.
What are the key properties of (4-butyliminocyclohex-2-en-1-yl)methanamine?
(4-butyliminocyclohex-2-en-1-yl)methanamine has a molecular weight of 180.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butyliminocyclohex-2-en-1-yl)methanamine is sourced from PubChem (CID 123602996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).