N-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine

C15H24N2 — CID 79008172

IUPACN-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine
SMILESCCC(Cc1ccccc1)N(C)C1CCNC1
InChIInChI=1S/C15H24N2/c1-3-14(11-13-7-5-4-6-8-13)17(2)15-9-10-16-12-15/h4-8,14-16H,3,9-12H2,1-2H3
InChIKeyCISVNPHJOIFAKY-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.30
Rot. Bonds5

About N-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine

N-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine (PubChem CID 79008172) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine
PubChem CID79008172
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine
SMILESCCC(Cc1ccccc1)N(C)C1CCNC1
InChIInChI=1S/C15H24N2/c1-3-14(11-13-7-5-4-6-8-13)17(2)15-9-10-16-12-15/h4-8,14-16H,3,9-12H2,1-2H3
InChIKeyCISVNPHJOIFAKY-UHFFFAOYSA-N
XLogP2.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
N-[1-(4-fluorophenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
CID 114794765
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
N-methyl-N-[1-(4-phenylphenyl)ethyl]pyrrolidin-3-amine
CID 63297346
N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
CID 63297878
N-benzhydryl-N-ethylpyrrolidin-3-amine
CID 63299768
(3S)-N-benzyl-N-propan-2-ylpyrrolidin-3-amine
CID 66569418
N,N-dimethyl-1-phenylbutan-2-amine
CID 14527584
N-ethyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
CID 63301804
3-benzyl-N-methyl-4-phenyl-N-piperidin-4-ylbutanamide
CID 119443283

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine (CID 79008172) is N-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine is CCC(Cc1ccccc1)N(C)C1CCNC1.
What is the InChIKey of N-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine?
The InChIKey is CISVNPHJOIFAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-14(11-13-7-5-4-6-8-13)17(2)15-9-10-16-12-15/h4-8,14-16H,3,9-12H2,1-2H3.
What are the key properties of N-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine?
N-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine has a molecular weight of 232.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 79008172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).