1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine

C16H26N2 — CID 43203842

IUPAC1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
SMILESCCC(NCCCN1CCCC1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-2-16(15-9-4-3-5-10-15)17-11-8-14-18-12-6-7-13-18/h3-5,9-10,16-17H,2,6-8,11-14H2,1H3
InChIKeyUTZPOXCEIOWOIQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.21
Rot. Bonds7

About 1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine

1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine (PubChem CID 43203842) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
PubChem CID43203842
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
SMILESCCC(NCCCN1CCCC1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-2-16(15-9-4-3-5-10-15)17-11-8-14-18-12-6-7-13-18/h3-5,9-10,16-17H,2,6-8,11-14H2,1H3
InChIKeyUTZPOXCEIOWOIQ-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 43098185
N-(2-chloro-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 65026030
N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 103913589
N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine
CID 43104102
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
(1R,2S)-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol
CID 24834662
N'-(1-phenylpropyl)propane-1,3-diamine
CID 60889497
N-[2-(azepan-1-yl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871459
3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine
CID 43204989
3-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanenitrile
CID 62778213
1-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine
CID 43094241
N-(2-morpholin-4-ylethyl)-1-phenyl-2-piperidin-1-ylethanamine
CID 51000971

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine?
The IUPAC name of 1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine (CID 43203842) is 1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine.
What is the SMILES notation for 1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine?
The canonical SMILES for 1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine is CCC(NCCCN1CCCC1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine?
The InChIKey is UTZPOXCEIOWOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-16(15-9-4-3-5-10-15)17-11-8-14-18-12-6-7-13-18/h3-5,9-10,16-17H,2,6-8,11-14H2,1H3.
What are the key properties of 1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine?
1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine is sourced from PubChem (CID 43203842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).