N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine

C14H22N2 — CID 86323590

IUPACN-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
SMILESCCN(Cc1ccccc1)C[C@H]1CCNC1
InChIInChI=1S/C14H22N2/c1-2-16(12-14-8-9-15-10-14)11-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3/t14-/m0/s1
InChIKeyXGIIETXEBPAGFH-AWEZNQCLSA-N
MW218.34 g/mol
LogP2.12
Rot. Bonds5

About N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine

N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 86323590) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
PubChem CID86323590
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
SMILESCCN(Cc1ccccc1)C[C@H]1CCNC1
InChIInChI=1S/C14H22N2/c1-2-16(12-14-8-9-15-10-14)11-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3/t14-/m0/s1
InChIKeyXGIIETXEBPAGFH-AWEZNQCLSA-N
XLogP2.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 23137005
N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 56831736
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
CID 94408590
N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624468
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine
CID 96555702
N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 103815711
N-benzyl-N-[(2,4-dichlorophenyl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 11674680
N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715386
3-[[benzyl(ethyl)amino]methyl]cyclopentan-1-amine
CID 66008001
N-benzyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine
CID 119930432

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine (CID 86323590) is N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine is CCN(Cc1ccccc1)C[C@H]1CCNC1.
What is the InChIKey of N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is XGIIETXEBPAGFH-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-16(12-14-8-9-15-10-14)11-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3/t14-/m0/s1.
What are the key properties of N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine?
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 86323590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).