N-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine

C14H23N3 — CID 43203851

IUPACN-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(NCCCN1CCCC1)c1ccncc1
InChIInChI=1S/C14H23N3/c1-13(14-5-8-15-9-6-14)16-7-4-12-17-10-2-3-11-17/h5-6,8-9,13,16H,2-4,7,10-12H2,1H3
InChIKeyBWVCQXAAPYXYIK-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.22
Rot. Bonds6

About N-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine

N-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 43203851) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID43203851
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(NCCCN1CCCC1)c1ccncc1
InChIInChI=1S/C14H23N3/c1-13(14-5-8-15-9-6-14)16-7-4-12-17-10-2-3-11-17/h5-6,8-9,13,16H,2-4,7,10-12H2,1H3
InChIKeyBWVCQXAAPYXYIK-UHFFFAOYSA-N
XLogP2.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657866
3-pyrrolidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62091363
N-[4-[1-(3-pyrrolidin-1-ylpropylamino)ethyl]phenyl]ethanesulfonamide
CID 119033190
N-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203840
N-[1-(3-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203896
3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 43203794
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657976
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657896
3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43205019
N-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203849
N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43096146
1-[2-(1-phenylethylamino)ethyl]-3-(3-piperidin-1-ylpropyl)urea
CID 143176399

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine (CID 43203851) is N-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine is CC(NCCCN1CCCC1)c1ccncc1.
What is the InChIKey of N-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is BWVCQXAAPYXYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-13(14-5-8-15-9-6-14)16-7-4-12-17-10-2-3-11-17/h5-6,8-9,13,16H,2-4,7,10-12H2,1H3.
What are the key properties of N-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine?
N-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 43203851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).