(3S)-N-benzyl-N-propan-2-ylpyrrolidin-3-amine

C14H22N2 — CID 66569418

IUPAC(3S)-N-benzyl-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N(Cc1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C14H22N2/c1-12(2)16(14-8-9-15-10-14)11-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3/t14-/m0/s1
InChIKeyCPSVIPMHUOWCOQ-AWEZNQCLSA-N
MW218.34 g/mol
LogP2.26
Rot. Bonds4

About (3S)-N-benzyl-N-propan-2-ylpyrrolidin-3-amine

(3S)-N-benzyl-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 66569418) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (3S)-N-benzyl-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-benzyl-N-propan-2-ylpyrrolidin-3-amine
PubChem CID66569418
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(3S)-N-benzyl-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N(Cc1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C14H22N2/c1-12(2)16(14-8-9-15-10-14)11-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3/t14-/m0/s1
InChIKeyCPSVIPMHUOWCOQ-AWEZNQCLSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-benzyl-N-propan-2-ylpiperidin-3-amine
CID 66569420
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 62327409
N-ethyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
CID 63301804
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
CID 94408590
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
(3S)-N-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71648784
N-benzhydryl-N-ethylpyrrolidin-3-amine
CID 63299768
(3R)-N-benzyl-N-cyclopropylpiperidin-3-amine
CID 66569431
N-ethyl-N-(3-methyl-1-phenylbutyl)pyrrolidin-3-amine
CID 63299236

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3S)-N-benzyl-N-propan-2-ylpyrrolidin-3-amine (CID 66569418) is (3S)-N-benzyl-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-benzyl-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3S)-N-benzyl-N-propan-2-ylpyrrolidin-3-amine is CC(C)N(Cc1ccccc1)[C@H]1CCNC1.
What is the InChIKey of (3S)-N-benzyl-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is CPSVIPMHUOWCOQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N2/c1-12(2)16(14-8-9-15-10-14)11-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-N-benzyl-N-propan-2-ylpyrrolidin-3-amine?
(3S)-N-benzyl-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 218.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 66569418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).