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

C16H26N2 — CID 28658239

IUPAC3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
SMILESc1ccc(CCCNCCCN2CCCC2)cc1
InChIInChI=1S/C16H26N2/c1-2-8-16(9-3-1)10-6-11-17-12-7-15-18-13-4-5-14-18/h1-3,8-9,17H,4-7,10-15H2
InChIKeyHGEOTDKQJXJBRW-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.69
Rot. Bonds8

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

3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine (PubChem CID 28658239) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
PubChem CID28658239
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
SMILESc1ccc(CCCNCCCN2CCCC2)cc1
InChIInChI=1S/C16H26N2/c1-2-8-16(9-3-1)10-6-11-17-12-7-15-18-13-4-5-14-18/h1-3,8-9,17H,4-7,10-15H2
InChIKeyHGEOTDKQJXJBRW-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.69
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

N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine
CID 28525953
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
N-benzyl-6-piperidin-1-ylhexan-1-amine
CID 54404338
3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 83962809
N-(2-phenylsulfanylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 54961115
2-methyl-N-(3-phenylpropyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 55025768
N-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 54961065
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
N-[2-(2-fluorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 54961161
6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine
CID 23016534
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
1-(azepan-1-yl)-3-(3-phenylpropylamino)propan-1-one
CID 109030919

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine?
The IUPAC name of 3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine (CID 28658239) is 3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine.
What is the SMILES notation for 3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine?
The canonical SMILES for 3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine is c1ccc(CCCNCCCN2CCCC2)cc1.
What is the InChIKey of 3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine?
The InChIKey is HGEOTDKQJXJBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-8-16(9-3-1)10-6-11-17-12-7-15-18-13-4-5-14-18/h1-3,8-9,17H,4-7,10-15H2.
What are the key properties of 3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine?
3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine is sourced from PubChem (CID 28658239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).