(9S)-N-ethyl-N,9-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-amine

C13H21N3 — CID 24957413

IUPAC(9S)-N-ethyl-N,9-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-amine
SMILESCCN(C)c1ccc2c(n1)[C@@H](C)CNCC2
InChIInChI=1S/C13H21N3/c1-4-16(3)12-6-5-11-7-8-14-9-10(2)13(11)15-12/h5-6,10,14H,4,7-9H2,1-3H3/t10-/m0/s1
InChIKeyAXDMWESRIFBJMW-JTQLQIEISA-N
MW219.33 g/mol
LogP1.79
Rot. Bonds2

About (9S)-N-ethyl-N,9-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-amine

(9S)-N-ethyl-N,9-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-amine (PubChem CID 24957413) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is (9S)-N-ethyl-N,9-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-amine.

Molecular Properties

Compound Name(9S)-N-ethyl-N,9-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-amine
PubChem CID24957413
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name(9S)-N-ethyl-N,9-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-amine
SMILESCCN(C)c1ccc2c(n1)[C@@H](C)CNCC2
InChIInChI=1S/C13H21N3/c1-4-16(3)12-6-5-11-7-8-14-9-10(2)13(11)15-12/h5-6,10,14H,4,7-9H2,1-3H3/t10-/m0/s1
InChIKeyAXDMWESRIFBJMW-JTQLQIEISA-N
XLogP1.79
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9S)-N-ethyl-N,9-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-amine?
The IUPAC name of (9S)-N-ethyl-N,9-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-amine (CID 24957413) is (9S)-N-ethyl-N,9-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-amine.
What is the SMILES notation for (9S)-N-ethyl-N,9-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-amine?
The canonical SMILES for (9S)-N-ethyl-N,9-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-amine is CCN(C)c1ccc2c(n1)[C@@H](C)CNCC2.
What is the InChIKey of (9S)-N-ethyl-N,9-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-amine?
The InChIKey is AXDMWESRIFBJMW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3/c1-4-16(3)12-6-5-11-7-8-14-9-10(2)13(11)15-12/h5-6,10,14H,4,7-9H2,1-3H3/t10-/m0/s1.
What are the key properties of (9S)-N-ethyl-N,9-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-amine?
(9S)-N-ethyl-N,9-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-amine has a molecular weight of 219.33 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-N-ethyl-N,9-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-amine is sourced from PubChem (CID 24957413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).