1-(2-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine

C17H25N — CID 79984685

IUPAC1-(2-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
SMILESCC1(CNCc2ccccc2C2CC2)CCCC1
InChIInChI=1S/C17H25N/c1-17(10-4-5-11-17)13-18-12-15-6-2-3-7-16(15)14-8-9-14/h2-3,6-7,14,18H,4-5,8-13H2,1H3
InChIKeyUKVQHHSUCFPFKK-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.23
Rot. Bonds5

About 1-(2-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine

1-(2-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine (PubChem CID 79984685) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(2-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
PubChem CID79984685
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1-(2-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
SMILESCC1(CNCc2ccccc2C2CC2)CCCC1
InChIInChI=1S/C17H25N/c1-17(10-4-5-11-17)13-18-12-15-6-2-3-7-16(15)14-8-9-14/h2-3,6-7,14,18H,4-5,8-13H2,1H3
InChIKeyUKVQHHSUCFPFKK-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine?
The IUPAC name of 1-(2-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine (CID 79984685) is 1-(2-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine.
What is the SMILES notation for 1-(2-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine?
The canonical SMILES for 1-(2-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine is CC1(CNCc2ccccc2C2CC2)CCCC1.
What is the InChIKey of 1-(2-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine?
The InChIKey is UKVQHHSUCFPFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-17(10-4-5-11-17)13-18-12-15-6-2-3-7-16(15)14-8-9-14/h2-3,6-7,14,18H,4-5,8-13H2,1H3.
What are the key properties of 1-(2-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine?
1-(2-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine has a molecular weight of 243.39 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine is sourced from PubChem (CID 79984685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).