(9R)-N-ethyl-N,9-dimethyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-amine

C13H23N3 — CID 71085397

IUPAC(9R)-N-ethyl-N,9-dimethyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-amine
SMILESCCN(C)C1=NC2=C(CCNC[C@H]2C)CC1
InChIInChI=1S/C13H23N3/c1-4-16(3)12-6-5-11-7-8-14-9-10(2)13(11)15-12/h10,14H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyMLXURMXOYGENQC-SNVBAGLBSA-N
MW221.35 g/mol
LogP2.01
Rot. Bonds1

About (9R)-N-ethyl-N,9-dimethyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-amine

(9R)-N-ethyl-N,9-dimethyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-amine (PubChem CID 71085397) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (9R)-N-ethyl-N,9-dimethyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-amine.

Molecular Properties

Compound Name(9R)-N-ethyl-N,9-dimethyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-amine
PubChem CID71085397
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(9R)-N-ethyl-N,9-dimethyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-amine
SMILESCCN(C)C1=NC2=C(CCNC[C@H]2C)CC1
InChIInChI=1S/C13H23N3/c1-4-16(3)12-6-5-11-7-8-14-9-10(2)13(11)15-12/h10,14H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyMLXURMXOYGENQC-SNVBAGLBSA-N
XLogP2.01
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (9R)-N-ethyl-N,9-dimethyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (9R)-N-ethyl-N,9-dimethyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-amine?
The IUPAC name of (9R)-N-ethyl-N,9-dimethyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-amine (CID 71085397) is (9R)-N-ethyl-N,9-dimethyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-amine.
What is the SMILES notation for (9R)-N-ethyl-N,9-dimethyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-amine?
The canonical SMILES for (9R)-N-ethyl-N,9-dimethyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-amine is CCN(C)C1=NC2=C(CCNC[C@H]2C)CC1.
What is the InChIKey of (9R)-N-ethyl-N,9-dimethyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-amine?
The InChIKey is MLXURMXOYGENQC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-16(3)12-6-5-11-7-8-14-9-10(2)13(11)15-12/h10,14H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of (9R)-N-ethyl-N,9-dimethyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-amine?
(9R)-N-ethyl-N,9-dimethyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-N-ethyl-N,9-dimethyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-amine is sourced from PubChem (CID 71085397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).