N-[(1S)-1-cyclopentylethyl]-1-pyrrolidin-2-ylpropan-2-amine

C14H28N2 — CID 81386567

IUPACN-[(1S)-1-cyclopentylethyl]-1-pyrrolidin-2-ylpropan-2-amine
SMILESCC(CC1CCCN1)N[C@@H](C)C1CCCC1
InChIInChI=1S/C14H28N2/c1-11(10-14-8-5-9-15-14)16-12(2)13-6-3-4-7-13/h11-16H,3-10H2,1-2H3/t11?,12-,14?/m0/s1
InChIKeyMFAFLCFPIPURFL-LXVYMNJGSA-N
MW224.39 g/mol
LogP2.69
Rot. Bonds5

About N-[(1S)-1-cyclopentylethyl]-1-pyrrolidin-2-ylpropan-2-amine

N-[(1S)-1-cyclopentylethyl]-1-pyrrolidin-2-ylpropan-2-amine (PubChem CID 81386567) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentylethyl]-1-pyrrolidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentylethyl]-1-pyrrolidin-2-ylpropan-2-amine
PubChem CID81386567
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[(1S)-1-cyclopentylethyl]-1-pyrrolidin-2-ylpropan-2-amine
SMILESCC(CC1CCCN1)N[C@@H](C)C1CCCC1
InChIInChI=1S/C14H28N2/c1-11(10-14-8-5-9-15-14)16-12(2)13-6-3-4-7-13/h11-16H,3-10H2,1-2H3/t11?,12-,14?/m0/s1
InChIKeyMFAFLCFPIPURFL-LXVYMNJGSA-N
XLogP2.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine
CID 81384452
N-[1-(azepan-2-yl)propan-2-yl]-1-cyclohexylpropan-1-amine
CID 79560812
3-methyl-N-(1-piperidin-2-ylpropan-2-yl)pentan-2-amine
CID 79539602
2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol
CID 79540590
1-N,1-N-dimethyl-2-N-(1-pyrrolidin-2-ylpropan-2-yl)propane-1,2-diamine
CID 82937432
2-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid
CID 79540937
N-(1-piperidin-2-ylpropan-2-yl)cyclohexanamine
CID 79549011
1-cyclobutyl-N-(1-cyclopentylethyl)propan-2-amine
CID 115720167
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79549597
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpentan-3-amine
CID 79559883
4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol
CID 113376129

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentylethyl]-1-pyrrolidin-2-ylpropan-2-amine?
The IUPAC name of N-[(1S)-1-cyclopentylethyl]-1-pyrrolidin-2-ylpropan-2-amine (CID 81386567) is N-[(1S)-1-cyclopentylethyl]-1-pyrrolidin-2-ylpropan-2-amine.
What is the SMILES notation for N-[(1S)-1-cyclopentylethyl]-1-pyrrolidin-2-ylpropan-2-amine?
The canonical SMILES for N-[(1S)-1-cyclopentylethyl]-1-pyrrolidin-2-ylpropan-2-amine is CC(CC1CCCN1)N[C@@H](C)C1CCCC1.
What is the InChIKey of N-[(1S)-1-cyclopentylethyl]-1-pyrrolidin-2-ylpropan-2-amine?
The InChIKey is MFAFLCFPIPURFL-LXVYMNJGSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(10-14-8-5-9-15-14)16-12(2)13-6-3-4-7-13/h11-16H,3-10H2,1-2H3/t11?,12-,14?/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentylethyl]-1-pyrrolidin-2-ylpropan-2-amine?
N-[(1S)-1-cyclopentylethyl]-1-pyrrolidin-2-ylpropan-2-amine has a molecular weight of 224.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentylethyl]-1-pyrrolidin-2-ylpropan-2-amine is sourced from PubChem (CID 81386567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).