N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine

C11H21N — CID 19871407

IUPACN-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine
SMILESC=CCNCC1CCC(C)CC1
InChIInChI=1S/C11H21N/c1-3-8-12-9-11-6-4-10(2)5-7-11/h3,10-12H,1,4-9H2,2H3
InChIKeyTXFZONHEGBKLKE-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.59
Rot. Bonds4

About N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine

N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine (PubChem CID 19871407) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine
PubChem CID19871407
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine
SMILESC=CCNCC1CCC(C)CC1
InChIInChI=1S/C11H21N/c1-3-8-12-9-11-6-4-10(2)5-7-11/h3,10-12H,1,4-9H2,2H3
InChIKeyTXFZONHEGBKLKE-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine?
The IUPAC name of N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine (CID 19871407) is N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine is C=CCNCC1CCC(C)CC1.
What is the InChIKey of N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine?
The InChIKey is TXFZONHEGBKLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-8-12-9-11-6-4-10(2)5-7-11/h3,10-12H,1,4-9H2,2H3.
What are the key properties of N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine?
N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 19871407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).