N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-phenylpropan-1-amine

C20H33N — CID 115793603

IUPACN-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)C1(CC(C)C)CCCC1
InChIInChI=1S/C20H33N/c1-4-21-19(13-12-18-10-6-5-7-11-18)20(16-17(2)3)14-8-9-15-20/h5-7,10-11,17,19,21H,4,8-9,12-16H2,1-3H3
InChIKeyCKSOAJSEXDCBEC-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.20
Rot. Bonds8

About N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-phenylpropan-1-amine

N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-phenylpropan-1-amine (PubChem CID 115793603) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-phenylpropan-1-amine
PubChem CID115793603
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)C1(CC(C)C)CCCC1
InChIInChI=1S/C20H33N/c1-4-21-19(13-12-18-10-6-5-7-11-18)20(16-17(2)3)14-8-9-15-20/h5-7,10-11,17,19,21H,4,8-9,12-16H2,1-3H3
InChIKeyCKSOAJSEXDCBEC-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029722
1-(1-ethoxycyclopentyl)-N-ethyl-3-phenylpropan-1-amine
CID 116762128
N-ethyl-4-ethylsulfonyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine
CID 115865177
1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine
CID 79063752
N-ethyl-4-methyl-1-(1-phenylcyclohexyl)pentan-1-amine
CID 63417631
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 115779478
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(oxolan-2-yl)propan-1-amine
CID 104993519
N-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine
CID 63417531
N-ethyl-1-(1-phenylcyclopentyl)propan-1-amine
CID 63079391
1-(1-benzylcyclopropyl)-N-ethylethanamine
CID 106797823
N-[[1-(2-methylpropyl)cyclopentyl]-pyridin-3-ylmethyl]ethanamine
CID 115799011
1-(1-hydrazinyl-3-phenylpropyl)-N,N-dimethylcyclopentan-1-amine
CID 105242308

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-phenylpropan-1-amine?
The IUPAC name of N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-phenylpropan-1-amine (CID 115793603) is N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-phenylpropan-1-amine is CCNC(CCc1ccccc1)C1(CC(C)C)CCCC1.
What is the InChIKey of N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-phenylpropan-1-amine?
The InChIKey is CKSOAJSEXDCBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-4-21-19(13-12-18-10-6-5-7-11-18)20(16-17(2)3)14-8-9-15-20/h5-7,10-11,17,19,21H,4,8-9,12-16H2,1-3H3.
What are the key properties of N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-phenylpropan-1-amine?
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-phenylpropan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 115793603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).