(1S)-N-[(9-ethylcarbazol-3-yl)methyl]-1-pyridin-2-ylethanamine

C22H23N3 — CID 32664036

IUPAC(1S)-N-[(9-ethylcarbazol-3-yl)methyl]-1-pyridin-2-ylethanamine
SMILESCCn1c2ccccc2c2cc(CN[C@@H](C)c3ccccn3)ccc21
InChIInChI=1S/C22H23N3/c1-3-25-21-10-5-4-8-18(21)19-14-17(11-12-22(19)25)15-24-16(2)20-9-6-7-13-23-20/h4-14,16,24H,3,15H2,1-2H3/t16-/m0/s1
InChIKeyYYOFEZBGVTWQDK-INIZCTEOSA-N
MW329.45 g/mol
LogP5.06
Rot. Bonds5

About (1S)-N-[(9-ethylcarbazol-3-yl)methyl]-1-pyridin-2-ylethanamine

(1S)-N-[(9-ethylcarbazol-3-yl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 32664036) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is (1S)-N-[(9-ethylcarbazol-3-yl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(9-ethylcarbazol-3-yl)methyl]-1-pyridin-2-ylethanamine
PubChem CID32664036
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC Name(1S)-N-[(9-ethylcarbazol-3-yl)methyl]-1-pyridin-2-ylethanamine
SMILESCCn1c2ccccc2c2cc(CN[C@@H](C)c3ccccn3)ccc21
InChIInChI=1S/C22H23N3/c1-3-25-21-10-5-4-8-18(21)19-14-17(11-12-22(19)25)15-24-16(2)20-9-6-7-13-23-20/h4-14,16,24H,3,15H2,1-2H3/t16-/m0/s1
InChIKeyYYOFEZBGVTWQDK-INIZCTEOSA-N
XLogP5.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.45
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(9-ethylcarbazol-3-yl)methyl]propan-2-amine;hydrochloride
CID 17156280
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine
CID 21087531
(1S)-N-[[9-ethyl-6-[[[(1S)-1-phenylethyl]amino]methyl]carbazol-3-yl]methyl]-1-phenylethanamine
CID 25214114
N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181276
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28647738
N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
CID 70245099
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol
CID 7425045
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid
CID 99124071
2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid
CID 66527507
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401570
2-[4-[[2,3-dimethyl-5-[(1-pyridin-2-ylethylamino)methyl]indol-1-yl]methyl]phenyl]benzoic acid
CID 123872149
(1S)-1-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437978

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(9-ethylcarbazol-3-yl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1S)-N-[(9-ethylcarbazol-3-yl)methyl]-1-pyridin-2-ylethanamine (CID 32664036) is (1S)-N-[(9-ethylcarbazol-3-yl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-N-[(9-ethylcarbazol-3-yl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-N-[(9-ethylcarbazol-3-yl)methyl]-1-pyridin-2-ylethanamine is CCn1c2ccccc2c2cc(CN[C@@H](C)c3ccccn3)ccc21.
What is the InChIKey of (1S)-N-[(9-ethylcarbazol-3-yl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is YYOFEZBGVTWQDK-INIZCTEOSA-N. The full InChI is InChI=1S/C22H23N3/c1-3-25-21-10-5-4-8-18(21)19-14-17(11-12-22(19)25)15-24-16(2)20-9-6-7-13-23-20/h4-14,16,24H,3,15H2,1-2H3/t16-/m0/s1.
What are the key properties of (1S)-N-[(9-ethylcarbazol-3-yl)methyl]-1-pyridin-2-ylethanamine?
(1S)-N-[(9-ethylcarbazol-3-yl)methyl]-1-pyridin-2-ylethanamine has a molecular weight of 329.45 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(9-ethylcarbazol-3-yl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 32664036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).