1,5-dimethyl-N-(3-phenylbutyl)pyrrolidin-3-amine

C16H26N2 — CID 81333598

IUPAC1,5-dimethyl-N-(3-phenylbutyl)pyrrolidin-3-amine
SMILESCC(CCNC1CC(C)N(C)C1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-13(15-7-5-4-6-8-15)9-10-17-16-11-14(2)18(3)12-16/h4-8,13-14,16-17H,9-12H2,1-3H3
InChIKeyOXVATGQHKFTWIO-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.86
Rot. Bonds5

About 1,5-dimethyl-N-(3-phenylbutyl)pyrrolidin-3-amine

1,5-dimethyl-N-(3-phenylbutyl)pyrrolidin-3-amine (PubChem CID 81333598) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1,5-dimethyl-N-(3-phenylbutyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-(3-phenylbutyl)pyrrolidin-3-amine
PubChem CID81333598
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1,5-dimethyl-N-(3-phenylbutyl)pyrrolidin-3-amine
SMILESCC(CCNC1CC(C)N(C)C1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-13(15-7-5-4-6-8-15)9-10-17-16-11-14(2)18(3)12-16/h4-8,13-14,16-17H,9-12H2,1-3H3
InChIKeyOXVATGQHKFTWIO-UHFFFAOYSA-N
XLogP2.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-phenylbutyl)cyclobutane-1,3-diamine
CID 80562292
1,5-dimethyl-N-[2-(2-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81301413
N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63463227
1-[(1,5-dimethylpyrrolidin-3-yl)amino]-4-methylpentan-3-ol
CID 115723479
2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid
CID 103250718
tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate
CID 103759634
N-[(2-ethylphenyl)methyl]-1,5-dimethylpyrrolidin-3-amine
CID 81338197
N-(3-phenylbutyl)thian-3-amine
CID 62988894
1,5-dimethyl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine
CID 81300569
2,2,3,3-tetramethyl-N-(3-phenylbutyl)cyclopropan-1-amine
CID 79351956
(1S)-N-(3,3-diphenylpropyl)-3-methylcyclopentan-1-amine
CID 71032236
1-methyl-3-(3-phenylbutylamino)pyrrolidine-2,5-dione
CID 55153501

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(3-phenylbutyl)pyrrolidin-3-amine?
The IUPAC name of 1,5-dimethyl-N-(3-phenylbutyl)pyrrolidin-3-amine (CID 81333598) is 1,5-dimethyl-N-(3-phenylbutyl)pyrrolidin-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-(3-phenylbutyl)pyrrolidin-3-amine?
The canonical SMILES for 1,5-dimethyl-N-(3-phenylbutyl)pyrrolidin-3-amine is CC(CCNC1CC(C)N(C)C1)c1ccccc1.
What is the InChIKey of 1,5-dimethyl-N-(3-phenylbutyl)pyrrolidin-3-amine?
The InChIKey is OXVATGQHKFTWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(15-7-5-4-6-8-15)9-10-17-16-11-14(2)18(3)12-16/h4-8,13-14,16-17H,9-12H2,1-3H3.
What are the key properties of 1,5-dimethyl-N-(3-phenylbutyl)pyrrolidin-3-amine?
1,5-dimethyl-N-(3-phenylbutyl)pyrrolidin-3-amine has a molecular weight of 246.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(3-phenylbutyl)pyrrolidin-3-amine is sourced from PubChem (CID 81333598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).