1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine

C16H23N — CID 79978912

IUPAC1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine
SMILESc1cc(CNCC2CCCC2)cc(C2CC2)c1
InChIInChI=1S/C16H23N/c1-2-5-13(4-1)11-17-12-14-6-3-7-16(10-14)15-8-9-15/h3,6-7,10,13,15,17H,1-2,4-5,8-9,11-12H2
InChIKeyYBPAILSBUBRJLG-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.84
Rot. Bonds5

About 1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine

1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine (PubChem CID 79978912) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine
PubChem CID79978912
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine
SMILESc1cc(CNCC2CCCC2)cc(C2CC2)c1
InChIInChI=1S/C16H23N/c1-2-5-13(4-1)11-17-12-14-6-3-7-16(10-14)15-8-9-15/h3,6-7,10,13,15,17H,1-2,4-5,8-9,11-12H2
InChIKeyYBPAILSBUBRJLG-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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Related Compounds

1-cyclobutyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79979705
4-[[(3-cyclopropylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79971547
1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine
CID 79978986
N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine
CID 43215546
N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine
CID 43298546
N-[(3-cyclopropylphenyl)methyl]cyclopentanamine
CID 79979605
[3-[(cyclohexylmethylamino)methyl]phenyl]methylcarbamic acid
CID 68520941
1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine
CID 113328694
1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
CID 43298537
3-[(cyclobutylmethylamino)methyl]-N-methylaniline
CID 115212230
3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine
CID 79970546
N-[(3-cyclopropylphenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899392

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine?
The IUPAC name of 1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine (CID 79978912) is 1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine?
The canonical SMILES for 1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine is c1cc(CNCC2CCCC2)cc(C2CC2)c1.
What is the InChIKey of 1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine?
The InChIKey is YBPAILSBUBRJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-2-5-13(4-1)11-17-12-14-6-3-7-16(10-14)15-8-9-15/h3,6-7,10,13,15,17H,1-2,4-5,8-9,11-12H2.
What are the key properties of 1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine?
1-cyclopentyl-N-[(3-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-[(3-cyclopropylphenyl)methyl]methanamine is sourced from PubChem (CID 79978912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).