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

C10H18N2 — CID 123339384

IUPAC(4-propyliminocyclohex-2-en-1-yl)methanamine
SMILESCCC/N=C1/C=CC(CN)CC1
InChIInChI=1S/C10H18N2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3,5,9H,2,4,6-8,11H2,1H3/b12-10-
InChIKeyZFLRGJFQMCOWMF-BENRWUELSA-N
MW166.27 g/mol
LogP1.76
Rot. Bonds3

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

(4-propyliminocyclohex-2-en-1-yl)methanamine (PubChem CID 123339384) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (4-propyliminocyclohex-2-en-1-yl)methanamine.

Molecular Properties

Compound Name(4-propyliminocyclohex-2-en-1-yl)methanamine
PubChem CID123339384
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(4-propyliminocyclohex-2-en-1-yl)methanamine
SMILESCCC/N=C1/C=CC(CN)CC1
InChIInChI=1S/C10H18N2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3,5,9H,2,4,6-8,11H2,1H3/b12-10-
InChIKeyZFLRGJFQMCOWMF-BENRWUELSA-N
XLogP1.76
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-propyliminocyclohex-2-en-1-yl)methanamine?
The IUPAC name of (4-propyliminocyclohex-2-en-1-yl)methanamine (CID 123339384) is (4-propyliminocyclohex-2-en-1-yl)methanamine.
What is the SMILES notation for (4-propyliminocyclohex-2-en-1-yl)methanamine?
The canonical SMILES for (4-propyliminocyclohex-2-en-1-yl)methanamine is CCC/N=C1/C=CC(CN)CC1.
What is the InChIKey of (4-propyliminocyclohex-2-en-1-yl)methanamine?
The InChIKey is ZFLRGJFQMCOWMF-BENRWUELSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3,5,9H,2,4,6-8,11H2,1H3/b12-10-.
What are the key properties of (4-propyliminocyclohex-2-en-1-yl)methanamine?
(4-propyliminocyclohex-2-en-1-yl)methanamine has a molecular weight of 166.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propyliminocyclohex-2-en-1-yl)methanamine is sourced from PubChem (CID 123339384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).