1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine

C16H23N — CID 79978986

IUPAC1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine
SMILESc1cc(C2CC2)ccc1CNCC1CCCC1
InChIInChI=1S/C16H23N/c1-2-4-13(3-1)11-17-12-14-5-7-15(8-6-14)16-9-10-16/h5-8,13,16-17H,1-4,9-12H2
InChIKeyOIBZCJIVRHYKGS-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.84
Rot. Bonds5

About 1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine

1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine (PubChem CID 79978986) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine
PubChem CID79978986
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine
SMILESc1cc(C2CC2)ccc1CNCC1CCCC1
InChIInChI=1S/C16H23N/c1-2-4-13(3-1)11-17-12-14-5-7-15(8-6-14)16-9-10-16/h5-8,13,16-17H,1-4,9-12H2
InChIKeyOIBZCJIVRHYKGS-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine?
The IUPAC name of 1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine (CID 79978986) is 1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine?
The canonical SMILES for 1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine is c1cc(C2CC2)ccc1CNCC1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine?
The InChIKey is OIBZCJIVRHYKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-2-4-13(3-1)11-17-12-14-5-7-15(8-6-14)16-9-10-16/h5-8,13,16-17H,1-4,9-12H2.
What are the key properties of 1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine?
1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine has a molecular weight of 229.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine is sourced from PubChem (CID 79978986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).