(1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine

C12H19N3 — CID 97162329

IUPAC(1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
SMILESC[C@H](NC[C@H]1CCNC1)c1ccccn1
InChIInChI=1S/C12H19N3/c1-10(12-4-2-3-6-14-12)15-9-11-5-7-13-8-11/h2-4,6,10-11,13,15H,5,7-9H2,1H3/t10-,11-/m0/s1
InChIKeyOPZOICJULBXZOZ-QWRGUYRKSA-N
MW205.31 g/mol
LogP1.34
Rot. Bonds4

About (1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine

(1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 97162329) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is (1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
PubChem CID97162329
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name(1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
SMILESC[C@H](NC[C@H]1CCNC1)c1ccccn1
InChIInChI=1S/C12H19N3/c1-10(12-4-2-3-6-14-12)15-9-11-5-7-13-8-11/h2-4,6,10-11,13,15H,5,7-9H2,1H3/t10-,11-/m0/s1
InChIKeyOPZOICJULBXZOZ-QWRGUYRKSA-N
XLogP1.34
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-pyridin-2-ylethanamine
CID 21278980
N-(cyclopentylmethyl)-1-pyridin-2-ylethanamine
CID 21279046
N-(cyclohexylmethyl)-1-pyridin-2-ylethanamine
CID 21279072
(3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 71637667
N-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 43202632
2-piperidin-4-yl-N-(1-pyridin-2-ylethyl)acetamide
CID 54910208
N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 81401330
N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanesulfonamide;hydrochloride
CID 71637453
(1R)-1-(furan-2-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]ethanamine
CID 97162320
(3S)-N-(1-pyridin-2-ylethyl)piperidin-3-amine
CID 71637655
5-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one
CID 107529769
(3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride
CID 71637625

Frequently Asked Questions

What is the IUPAC name of (1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of (1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine (CID 97162329) is (1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for (1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for (1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine is C[C@H](NC[C@H]1CCNC1)c1ccccn1.
What is the InChIKey of (1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is OPZOICJULBXZOZ-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H19N3/c1-10(12-4-2-3-6-14-12)15-9-11-5-7-13-8-11/h2-4,6,10-11,13,15H,5,7-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of (1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine?
(1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 205.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 97162329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).