(4,5-diethylcyclohexen-1-yl)methanamine

C11H21N — CID 177194225

IUPAC(4,5-diethylcyclohexen-1-yl)methanamine
SMILESCCC1CC=C(CN)CC1CC
InChIInChI=1S/C11H21N/c1-3-10-6-5-9(8-12)7-11(10)4-2/h5,10-11H,3-4,6-8,12H2,1-2H3
InChIKeyMDCRVQUMPHTYEL-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.72
Rot. Bonds3

About (4,5-diethylcyclohexen-1-yl)methanamine

(4,5-diethylcyclohexen-1-yl)methanamine (PubChem CID 177194225) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (4,5-diethylcyclohexen-1-yl)methanamine.

Molecular Properties

Compound Name(4,5-diethylcyclohexen-1-yl)methanamine
PubChem CID177194225
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(4,5-diethylcyclohexen-1-yl)methanamine
SMILESCCC1CC=C(CN)CC1CC
InChIInChI=1S/C11H21N/c1-3-10-6-5-9(8-12)7-11(10)4-2/h5,10-11H,3-4,6-8,12H2,1-2H3
InChIKeyMDCRVQUMPHTYEL-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)cyclohex-3-ene-1-carboxylic acid
CID 162717934
1,6-diethyl-3,5-dimethylcyclohepta-1,3-diene
CID 123914106
(4R)-1,5-diethyl-4-[6-(1-methoxyethenyl)-4-prop-1-en-2-ylcyclohex-3-en-1-yl]cyclohexene
CID 89116330
(1R,6S)-6-ethylcyclohex-3-en-1-amine
CID 129102540
[(1R,6R)-6-(acetyloxymethyl)-4-(diethoxyphosphorylmethyl)cyclohex-3-en-1-yl]methyl acetate
CID 10022388
6-(aminomethyl)-2-ethyl-N-methyl-3,4-dihydro-2H-pyran-3-amine
CID 163805361
(2-ethylcyclobutyl)methanamine
CID 58519219
2-methyl-3-[(4R)-4-propylcyclopenten-1-yl]propanal
CID 166790842
6-ethylcyclohex-3-en-1-amine;molecular hydrogen
CID 142008891
4,5-diethylcyclohexene-1,2-dicarboxylic acid
CID 67933434
cyclohepta-1,4-dien-1-ylmethanamine
CID 139435596
1-cyclobutyl-5-ethyl-4-methylcycloheptene
CID 123242728

Frequently Asked Questions

What is the IUPAC name of (4,5-diethylcyclohexen-1-yl)methanamine?
The IUPAC name of (4,5-diethylcyclohexen-1-yl)methanamine (CID 177194225) is (4,5-diethylcyclohexen-1-yl)methanamine.
What is the SMILES notation for (4,5-diethylcyclohexen-1-yl)methanamine?
The canonical SMILES for (4,5-diethylcyclohexen-1-yl)methanamine is CCC1CC=C(CN)CC1CC.
What is the InChIKey of (4,5-diethylcyclohexen-1-yl)methanamine?
The InChIKey is MDCRVQUMPHTYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-10-6-5-9(8-12)7-11(10)4-2/h5,10-11H,3-4,6-8,12H2,1-2H3.
What are the key properties of (4,5-diethylcyclohexen-1-yl)methanamine?
(4,5-diethylcyclohexen-1-yl)methanamine has a molecular weight of 167.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-diethylcyclohexen-1-yl)methanamine is sourced from PubChem (CID 177194225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).