(1S)-1-[5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine

C13H19N3 — CID 106314654

IUPAC(1S)-1-[5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine
SMILESCC1=CCCN(c2ccc([C@H](C)N)nc2)C1
InChIInChI=1S/C13H19N3/c1-10-4-3-7-16(9-10)12-5-6-13(11(2)14)15-8-12/h4-6,8,11H,3,7,9,14H2,1-2H3/t11-/m0/s1
InChIKeyOIGRXVNFOKRCPV-NSHDSACASA-N
MW217.32 g/mol
LogP2.26
Rot. Bonds2

About (1S)-1-[5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine

(1S)-1-[5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine (PubChem CID 106314654) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (1S)-1-[5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine
PubChem CID106314654
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(1S)-1-[5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine
SMILESCC1=CCCN(c2ccc([C@H](C)N)nc2)C1
InChIInChI=1S/C13H19N3/c1-10-4-3-7-16(9-10)12-5-6-13(11(2)14)15-8-12/h4-6,8,11H,3,7,9,14H2,1-2H3/t11-/m0/s1
InChIKeyOIGRXVNFOKRCPV-NSHDSACASA-N
XLogP2.26
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine
CID 83123042
(1R)-1-[5-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine
CID 104921293
1-[5-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 103496947
1-[6-(1-aminoethyl)-3-pyridinyl]piperidin-4-ol
CID 83122211
1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 83122375
(1R)-1-[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]ethanamine
CID 83122006
(1R)-1-[5-[4-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]ethanamine
CID 83122532
(1S)-1-[5-(1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine
CID 83122995
1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol
CID 83122329
1-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 83127619
(1S)-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]ethanamine
CID 104930325
1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-pyridinyl]ethanamine
CID 83127327

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine (CID 106314654) is (1S)-1-[5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine is CC1=CCCN(c2ccc([C@H](C)N)nc2)C1.
What is the InChIKey of (1S)-1-[5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine?
The InChIKey is OIGRXVNFOKRCPV-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3/c1-10-4-3-7-16(9-10)12-5-6-13(11(2)14)15-8-12/h4-6,8,11H,3,7,9,14H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine?
(1S)-1-[5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine has a molecular weight of 217.32 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 106314654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).