4-chloro-N-(3-pyrrolidin-1-ylpropyl)pentan-1-amine

C12H25ClN2 — CID 106122021

IUPAC4-chloro-N-(3-pyrrolidin-1-ylpropyl)pentan-1-amine
SMILESCC(Cl)CCCNCCCN1CCCC1
InChIInChI=1S/C12H25ClN2/c1-12(13)6-4-7-14-8-5-11-15-9-2-3-10-15/h12,14H,2-11H2,1H3
InChIKeyWJFYNZUHZOWTDJ-UHFFFAOYSA-N
MW232.80 g/mol
LogP2.47
Rot. Bonds8

About 4-chloro-N-(3-pyrrolidin-1-ylpropyl)pentan-1-amine

4-chloro-N-(3-pyrrolidin-1-ylpropyl)pentan-1-amine (PubChem CID 106122021) has the molecular formula C12H25ClN2 and a molecular weight of 232.80 g/mol. Its IUPAC name is 4-chloro-N-(3-pyrrolidin-1-ylpropyl)pentan-1-amine.

Molecular Properties

Compound Name4-chloro-N-(3-pyrrolidin-1-ylpropyl)pentan-1-amine
PubChem CID106122021
Molecular FormulaC12H25ClN2
Molecular Weight232.80 g/mol
Exact Mass232.17
IUPAC Name4-chloro-N-(3-pyrrolidin-1-ylpropyl)pentan-1-amine
SMILESCC(Cl)CCCNCCCN1CCCC1
InChIInChI=1S/C12H25ClN2/c1-12(13)6-4-7-14-8-5-11-15-9-2-3-10-15/h12,14H,2-11H2,1H3
InChIKeyWJFYNZUHZOWTDJ-UHFFFAOYSA-N
XLogP2.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.80
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 106121816
N-[2-(azepan-1-yl)ethyl]-4-methylpentan-1-amine
CID 62575903
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
4-methoxy-3-methyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 113411499
N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
CID 43130243
2-[3-(azepan-1-yl)propylamino]ethanol
CID 53216056
3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
CID 28653628
2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 62989599
N-(2-methylpropyl)-4-piperidin-1-ylbutan-1-amine
CID 62425413
4-piperidin-1-yl-N-propylbutan-1-amine
CID 62425057
2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)propan-1-amine
CID 113422063

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-pyrrolidin-1-ylpropyl)pentan-1-amine?
The IUPAC name of 4-chloro-N-(3-pyrrolidin-1-ylpropyl)pentan-1-amine (CID 106122021) is 4-chloro-N-(3-pyrrolidin-1-ylpropyl)pentan-1-amine.
What is the SMILES notation for 4-chloro-N-(3-pyrrolidin-1-ylpropyl)pentan-1-amine?
The canonical SMILES for 4-chloro-N-(3-pyrrolidin-1-ylpropyl)pentan-1-amine is CC(Cl)CCCNCCCN1CCCC1.
What is the InChIKey of 4-chloro-N-(3-pyrrolidin-1-ylpropyl)pentan-1-amine?
The InChIKey is WJFYNZUHZOWTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClN2/c1-12(13)6-4-7-14-8-5-11-15-9-2-3-10-15/h12,14H,2-11H2,1H3.
What are the key properties of 4-chloro-N-(3-pyrrolidin-1-ylpropyl)pentan-1-amine?
4-chloro-N-(3-pyrrolidin-1-ylpropyl)pentan-1-amine has a molecular weight of 232.80 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-pyrrolidin-1-ylpropyl)pentan-1-amine is sourced from PubChem (CID 106122021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).