N-(cyclopropylmethyl)-1-methylcyclohex-3-en-1-amine

C11H19N — CID 130871052

IUPACN-(cyclopropylmethyl)-1-methylcyclohex-3-en-1-amine
SMILESCC1(NCC2CC2)CC=CCC1
InChIInChI=1S/C11H19N/c1-11(7-3-2-4-8-11)12-9-10-5-6-10/h2-3,10,12H,4-9H2,1H3
InChIKeyNIRKZULKJCHZEJ-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.48
Rot. Bonds3

About N-(cyclopropylmethyl)-1-methylcyclohex-3-en-1-amine

N-(cyclopropylmethyl)-1-methylcyclohex-3-en-1-amine (PubChem CID 130871052) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-methylcyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-methylcyclohex-3-en-1-amine
PubChem CID130871052
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-(cyclopropylmethyl)-1-methylcyclohex-3-en-1-amine
SMILESCC1(NCC2CC2)CC=CCC1
InChIInChI=1S/C11H19N/c1-11(7-3-2-4-8-11)12-9-10-5-6-10/h2-3,10,12H,4-9H2,1H3
InChIKeyNIRKZULKJCHZEJ-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-methylcyclohex-3-en-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-methylcyclohex-3-en-1-amine (CID 130871052) is N-(cyclopropylmethyl)-1-methylcyclohex-3-en-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-methylcyclohex-3-en-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-methylcyclohex-3-en-1-amine is CC1(NCC2CC2)CC=CCC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-methylcyclohex-3-en-1-amine?
The InChIKey is NIRKZULKJCHZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-11(7-3-2-4-8-11)12-9-10-5-6-10/h2-3,10,12H,4-9H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-methylcyclohex-3-en-1-amine?
N-(cyclopropylmethyl)-1-methylcyclohex-3-en-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-methylcyclohex-3-en-1-amine is sourced from PubChem (CID 130871052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).