N-[2-cyclopentyl-1-(1-phenylcyclobutyl)ethyl]propan-1-amine

C20H31N — CID 63417932

IUPACN-[2-cyclopentyl-1-(1-phenylcyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C20H31N/c1-2-15-21-19(16-17-9-6-7-10-17)20(13-8-14-20)18-11-4-3-5-12-18/h3-5,11-12,17,19,21H,2,6-10,13-16H2,1H3
InChIKeyNBKFKBWEFOVONG-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.06
Rot. Bonds7

About N-[2-cyclopentyl-1-(1-phenylcyclobutyl)ethyl]propan-1-amine

N-[2-cyclopentyl-1-(1-phenylcyclobutyl)ethyl]propan-1-amine (PubChem CID 63417932) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is N-[2-cyclopentyl-1-(1-phenylcyclobutyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopentyl-1-(1-phenylcyclobutyl)ethyl]propan-1-amine
PubChem CID63417932
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC NameN-[2-cyclopentyl-1-(1-phenylcyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C20H31N/c1-2-15-21-19(16-17-9-6-7-10-17)20(13-8-14-20)18-11-4-3-5-12-18/h3-5,11-12,17,19,21H,2,6-10,13-16H2,1H3
InChIKeyNBKFKBWEFOVONG-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(1-phenylcyclopentyl)ethyl]propan-1-amine
CID 63079548
2-cyclopropyl-N-methyl-1-(1-phenylcyclohexyl)ethanamine
CID 64904456
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
N-[oxan-3-yl-(1-phenylcyclobutyl)methyl]propan-1-amine
CID 107136335
N-[cycloheptyl-(1-phenylcyclobutyl)methyl]ethanamine
CID 82932692
1-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79069853
2,2-dimethyl-1-(1-phenylcyclopentyl)-N-propylpropan-1-amine
CID 63417982
2-methyl-1-(1-phenylcyclopropyl)-N-propylprop-2-en-1-amine
CID 79177489
N-ethyl-1-(1-phenylcyclobutyl)but-3-en-1-amine
CID 63078290
N-[1-(1-phenylcyclopropyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62881756
N-ethyl-1-(1-phenylcyclopentyl)propan-1-amine
CID 63079391
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentyl-1-(1-phenylcyclobutyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopentyl-1-(1-phenylcyclobutyl)ethyl]propan-1-amine (CID 63417932) is N-[2-cyclopentyl-1-(1-phenylcyclobutyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopentyl-1-(1-phenylcyclobutyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopentyl-1-(1-phenylcyclobutyl)ethyl]propan-1-amine is CCCNC(CC1CCCC1)C1(c2ccccc2)CCC1.
What is the InChIKey of N-[2-cyclopentyl-1-(1-phenylcyclobutyl)ethyl]propan-1-amine?
The InChIKey is NBKFKBWEFOVONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-2-15-21-19(16-17-9-6-7-10-17)20(13-8-14-20)18-11-4-3-5-12-18/h3-5,11-12,17,19,21H,2,6-10,13-16H2,1H3.
What are the key properties of N-[2-cyclopentyl-1-(1-phenylcyclobutyl)ethyl]propan-1-amine?
N-[2-cyclopentyl-1-(1-phenylcyclobutyl)ethyl]propan-1-amine has a molecular weight of 285.47 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentyl-1-(1-phenylcyclobutyl)ethyl]propan-1-amine is sourced from PubChem (CID 63417932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).