N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine

C12H18N2 — CID 10726362

IUPACN-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine
SMILESc1ccc(CNC[C@H]2CCNC2)cc1
InChIInChI=1S/C12H18N2/c1-2-4-11(5-3-1)8-14-10-12-6-7-13-9-12/h1-5,12-14H,6-10H2/t12-/m0/s1
InChIKeyNMHQHNPNQWTQIP-LBPRGKRZSA-N
MW190.29 g/mol
LogP1.39
Rot. Bonds4

About N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine

N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine (PubChem CID 10726362) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine
PubChem CID10726362
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine
SMILESc1ccc(CNC[C@H]2CCNC2)cc1
InChIInChI=1S/C12H18N2/c1-2-4-11(5-3-1)8-14-10-12-6-7-13-9-12/h1-5,12-14H,6-10H2/t12-/m0/s1
InChIKeyNMHQHNPNQWTQIP-LBPRGKRZSA-N
XLogP1.39
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(naphthalen-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 115208869
N-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208851
N-benzyl-1-(5-methylpiperidin-3-yl)methanamine
CID 130854883
N-[(3-pyrimidin-5-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 155958402
N-(pyrrolidin-3-ylmethyl)aniline
CID 12889914
N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 95731896
N-benzyl-1-cyclobutylmethanamine;methanol
CID 170726729
N-[[3-[(4-iodophenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine
CID 135164752
N-[[3-[2-(2-bromo-4-methylphenyl)ethynyl]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine
CID 135174165
N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 80553020
N-[[3-(2-bromo-4-chlorophenyl)phenyl]methyl]-1-pyrrolidin-3-ylmethanamine
CID 135174667
2-[(piperidin-4-ylmethylamino)methyl]phenol
CID 114331586

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine?
The IUPAC name of N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine (CID 10726362) is N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine is c1ccc(CNC[C@H]2CCNC2)cc1.
What is the InChIKey of N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine?
The InChIKey is NMHQHNPNQWTQIP-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-4-11(5-3-1)8-14-10-12-6-7-13-9-12/h1-5,12-14H,6-10H2/t12-/m0/s1.
What are the key properties of N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine?
N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine has a molecular weight of 190.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 10726362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).