(5-benzyl-1-methylpyrrolidin-3-yl)methanamine

C13H20N2 — CID 83855321

IUPAC(5-benzyl-1-methylpyrrolidin-3-yl)methanamine
SMILESCN1CC(CN)CC1Cc1ccccc1
InChIInChI=1S/C13H20N2/c1-15-10-12(9-14)8-13(15)7-11-5-3-2-4-6-11/h2-6,12-13H,7-10,14H2,1H3
InChIKeyHKZVQOYSMASACF-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.51
Rot. Bonds3

About (5-benzyl-1-methylpyrrolidin-3-yl)methanamine

(5-benzyl-1-methylpyrrolidin-3-yl)methanamine (PubChem CID 83855321) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (5-benzyl-1-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(5-benzyl-1-methylpyrrolidin-3-yl)methanamine
PubChem CID83855321
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(5-benzyl-1-methylpyrrolidin-3-yl)methanamine
SMILESCN1CC(CN)CC1Cc1ccccc1
InChIInChI=1S/C13H20N2/c1-15-10-12(9-14)8-13(15)7-11-5-3-2-4-6-11/h2-6,12-13H,7-10,14H2,1H3
InChIKeyHKZVQOYSMASACF-UHFFFAOYSA-N
XLogP1.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-benzyl-1-methylaziridine
CID 87174257
2-benzyl-1,4,7-trimethyl-1,4,7-triazonane
CID 19975076
2-benzyl-1,5-dimethylpiperazine
CID 64844005
[5-methyl-1-(3-phenylpropyl)pyrrolidin-3-yl]methanamine
CID 113319943
2-benzyl-5-ethyl-1-methylpiperazine
CID 64843712
[1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine
CID 117420358
(2-benzylcyclopropyl)methanamine
CID 56605942
2-benzyl-1-cyclopropylpiperidin-4-amine
CID 68576010
(5S)-5-benzyl-1,4-dimethylpiperazine-2,3-dione
CID 139093059
[5-[2-(difluoromethylsulfanyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117433987
1-(2-benzyl-4-methylpiperazin-1-yl)ethanone
CID 59474156
3-benzyl-4-methylmorpholine;ethane
CID 168940239

Frequently Asked Questions

What is the IUPAC name of (5-benzyl-1-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of (5-benzyl-1-methylpyrrolidin-3-yl)methanamine (CID 83855321) is (5-benzyl-1-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for (5-benzyl-1-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for (5-benzyl-1-methylpyrrolidin-3-yl)methanamine is CN1CC(CN)CC1Cc1ccccc1.
What is the InChIKey of (5-benzyl-1-methylpyrrolidin-3-yl)methanamine?
The InChIKey is HKZVQOYSMASACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-15-10-12(9-14)8-13(15)7-11-5-3-2-4-6-11/h2-6,12-13H,7-10,14H2,1H3.
What are the key properties of (5-benzyl-1-methylpyrrolidin-3-yl)methanamine?
(5-benzyl-1-methylpyrrolidin-3-yl)methanamine has a molecular weight of 204.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-1-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 83855321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).