N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline

C17H26N2 — CID 62632471

IUPACN-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline
SMILESCC(Nc1cccc(N2CCCC2)c1)C1CCCC1
InChIInChI=1S/C17H26N2/c1-14(15-7-2-3-8-15)18-16-9-6-10-17(13-16)19-11-4-5-12-19/h6,9-10,13-15,18H,2-5,7-8,11-12H2,1H3
InChIKeyPNNDPLPRWMUQSK-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.28
Rot. Bonds4

About N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline

N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline (PubChem CID 62632471) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline
PubChem CID62632471
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline
SMILESCC(Nc1cccc(N2CCCC2)c1)C1CCCC1
InChIInChI=1S/C17H26N2/c1-14(15-7-2-3-8-15)18-16-9-6-10-17(13-16)19-11-4-5-12-19/h6,9-10,13-15,18H,2-5,7-8,11-12H2,1H3
InChIKeyPNNDPLPRWMUQSK-UHFFFAOYSA-N
XLogP4.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(1-cyclohexylethyl)-3-methylaniline
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N-pentan-3-yl-3-pyrrolidin-1-ylaniline
CID 54864371
3-chloro-N-(1-cyclohexylethyl)aniline
CID 43762066
2-[1-(3-pyrrolidin-1-ylanilino)ethyl]phenol
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N-[1-(furan-2-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 54863773
N-(1-cyclobutylethyl)aniline
CID 58933203
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 60943708
N-[1-(1-methylpiperidin-3-yl)ethyl]-3-pyrazol-1-ylaniline
CID 43739906
N-phosphanyl-3-pyrrolidin-1-ylaniline
CID 59272549
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CID 54864439

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline?
The IUPAC name of N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline (CID 62632471) is N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline?
The canonical SMILES for N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline is CC(Nc1cccc(N2CCCC2)c1)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline?
The InChIKey is PNNDPLPRWMUQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-14(15-7-2-3-8-15)18-16-9-6-10-17(13-16)19-11-4-5-12-19/h6,9-10,13-15,18H,2-5,7-8,11-12H2,1H3.
What are the key properties of N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline?
N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline has a molecular weight of 258.41 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline is sourced from PubChem (CID 62632471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).