(3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine

C11H17N3 — CID 71637667

IUPAC(3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
SMILESCC(N[C@H]1CCNC1)c1ccccn1
InChIInChI=1S/C11H17N3/c1-9(11-4-2-3-6-13-11)14-10-5-7-12-8-10/h2-4,6,9-10,12,14H,5,7-8H2,1H3/t9?,10-/m0/s1
InChIKeyWTLXFJLDAHDBSQ-AXDSSHIGSA-N
MW191.28 g/mol
LogP1.09
Rot. Bonds3

About (3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine

(3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine (PubChem CID 71637667) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
PubChem CID71637667
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
SMILESCC(N[C@H]1CCNC1)c1ccccn1
InChIInChI=1S/C11H17N3/c1-9(11-4-2-3-6-13-11)14-10-5-7-12-8-10/h2-4,6,9-10,12,14H,5,7-8H2,1H3/t9?,10-/m0/s1
InChIKeyWTLXFJLDAHDBSQ-AXDSSHIGSA-N
XLogP1.09
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(1-pyridin-2-ylethyl)piperidin-3-amine
CID 71637655
(3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride
CID 71637625
N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 81401330
N-[(1S)-1-pyridin-2-ylethyl]cycloheptanamine
CID 28647798
N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine
CID 29052683
N-(1-pyridin-2-ylethyl)cyclooctanamine
CID 43178142
(3S)-N-(1-pyrazin-2-ylethyl)pyrrolidin-3-amine
CID 71637669
(3S)-N-(1-pyrazin-2-ylethyl)pyrrolidin-3-amine;hydrochloride
CID 71637668
(1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 97162329
(1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
CID 97162039
1-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 61461637
1-[4-(1-pyridin-2-ylethylamino)piperidin-1-yl]ethanone
CID 43223671

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine (CID 71637667) is (3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine is CC(N[C@H]1CCNC1)c1ccccn1.
What is the InChIKey of (3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine?
The InChIKey is WTLXFJLDAHDBSQ-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H17N3/c1-9(11-4-2-3-6-13-11)14-10-5-7-12-8-10/h2-4,6,9-10,12,14H,5,7-8H2,1H3/t9?,10-/m0/s1.
What are the key properties of (3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine?
(3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine has a molecular weight of 191.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 71637667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).