5-chloro-N-(2-pyrrolidin-1-ylethyl)pentan-2-amine

C11H23ClN2 — CID 107913763

IUPAC5-chloro-N-(2-pyrrolidin-1-ylethyl)pentan-2-amine
SMILESCC(CCCCl)NCCN1CCCC1
InChIInChI=1S/C11H23ClN2/c1-11(5-4-6-12)13-7-10-14-8-2-3-9-14/h11,13H,2-10H2,1H3
InChIKeyMLXCRWHZEYTPBG-UHFFFAOYSA-N
MW218.77 g/mol
LogP2.08
Rot. Bonds7

About 5-chloro-N-(2-pyrrolidin-1-ylethyl)pentan-2-amine

5-chloro-N-(2-pyrrolidin-1-ylethyl)pentan-2-amine (PubChem CID 107913763) has the molecular formula C11H23ClN2 and a molecular weight of 218.77 g/mol. Its IUPAC name is 5-chloro-N-(2-pyrrolidin-1-ylethyl)pentan-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-pyrrolidin-1-ylethyl)pentan-2-amine
PubChem CID107913763
Molecular FormulaC11H23ClN2
Molecular Weight218.77 g/mol
Exact Mass218.15
IUPAC Name5-chloro-N-(2-pyrrolidin-1-ylethyl)pentan-2-amine
SMILESCC(CCCCl)NCCN1CCCC1
InChIInChI=1S/C11H23ClN2/c1-11(5-4-6-12)13-7-10-14-8-2-3-9-14/h11,13H,2-10H2,1H3
InChIKeyMLXCRWHZEYTPBG-UHFFFAOYSA-N
XLogP2.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(azepan-1-yl)ethyl]heptan-2-amine
CID 61241150
4-(2-piperidin-1-ylethylamino)pentan-1-ol
CID 115970429
N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181621
1-N,1-N-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine
CID 104872007
2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 103387444
N-(2-piperidin-1-ylethyl)hex-5-en-2-amine
CID 75525501
N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843
N-[2-(azocan-1-yl)ethyl]-1-methoxypropan-2-amine
CID 62573966
4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181589
N-[3-(azepan-1-yl)propyl]butan-2-amine
CID 115707284
2-methyl-6-(3-pyrrolidin-1-ylpropylamino)heptanoic acid
CID 65289087
N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]heptan-2-amine
CID 62560602

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-pyrrolidin-1-ylethyl)pentan-2-amine?
The IUPAC name of 5-chloro-N-(2-pyrrolidin-1-ylethyl)pentan-2-amine (CID 107913763) is 5-chloro-N-(2-pyrrolidin-1-ylethyl)pentan-2-amine.
What is the SMILES notation for 5-chloro-N-(2-pyrrolidin-1-ylethyl)pentan-2-amine?
The canonical SMILES for 5-chloro-N-(2-pyrrolidin-1-ylethyl)pentan-2-amine is CC(CCCCl)NCCN1CCCC1.
What is the InChIKey of 5-chloro-N-(2-pyrrolidin-1-ylethyl)pentan-2-amine?
The InChIKey is MLXCRWHZEYTPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN2/c1-11(5-4-6-12)13-7-10-14-8-2-3-9-14/h11,13H,2-10H2,1H3.
What are the key properties of 5-chloro-N-(2-pyrrolidin-1-ylethyl)pentan-2-amine?
5-chloro-N-(2-pyrrolidin-1-ylethyl)pentan-2-amine has a molecular weight of 218.77 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-pyrrolidin-1-ylethyl)pentan-2-amine is sourced from PubChem (CID 107913763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).