(1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine

C14H17N3 — CID 81405517

IUPAC(1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine
SMILESCC(N[C@@H](C)c1ccncc1)c1ccccn1
InChIInChI=1S/C14H17N3/c1-11(13-6-9-15-10-7-13)17-12(2)14-5-3-4-8-16-14/h3-12,17H,1-2H3/t11-,12?/m0/s1
InChIKeyCKJTYGKWYHFFFQ-PXYINDEMSA-N
MW227.31 g/mol
LogP2.89
Rot. Bonds4

About (1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine

(1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine (PubChem CID 81405517) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is (1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine
PubChem CID81405517
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name(1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine
SMILESCC(N[C@@H](C)c1ccncc1)c1ccccn1
InChIInChI=1S/C14H17N3/c1-11(13-6-9-15-10-7-13)17-12(2)14-5-3-4-8-16-14/h3-12,17H,1-2H3/t11-,12?/m0/s1
InChIKeyCKJTYGKWYHFFFQ-PXYINDEMSA-N
XLogP2.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202325
1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79040984
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81392625
1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202622
N-(1-pyridin-2-ylethyl)-1-thiophen-3-ylethanamine
CID 62089613
1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79037238
N-(1-iodoethyl)-1-pyridin-2-ylethanamine
CID 174262770
(2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
CID 28648178
(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81366506
(1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81367216
1-(3-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 81402285

Frequently Asked Questions

What is the IUPAC name of (1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine?
The IUPAC name of (1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine (CID 81405517) is (1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine.
What is the SMILES notation for (1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine?
The canonical SMILES for (1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine is CC(N[C@@H](C)c1ccncc1)c1ccccn1.
What is the InChIKey of (1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine?
The InChIKey is CKJTYGKWYHFFFQ-PXYINDEMSA-N. The full InChI is InChI=1S/C14H17N3/c1-11(13-6-9-15-10-7-13)17-12(2)14-5-3-4-8-16-14/h3-12,17H,1-2H3/t11-,12?/m0/s1.
What are the key properties of (1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine?
(1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine is sourced from PubChem (CID 81405517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).