N-ethyl-N,9-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-6-amine

C13H21N3 — CID 69026344

IUPACN-ethyl-N,9-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-6-amine
SMILESCCN(C)C1=NC=C(C)C2=C(CCCN2)C1
InChIInChI=1S/C13H21N3/c1-4-16(3)12-8-11-6-5-7-14-13(11)10(2)9-15-12/h9,14H,4-8H2,1-3H3
InChIKeyBGTYMOHHUHTIRE-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.28
Rot. Bonds1

About N-ethyl-N,9-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-6-amine

N-ethyl-N,9-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-6-amine (PubChem CID 69026344) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-ethyl-N,9-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-6-amine.

Molecular Properties

Compound NameN-ethyl-N,9-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-6-amine
PubChem CID69026344
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-ethyl-N,9-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-6-amine
SMILESCCN(C)C1=NC=C(C)C2=C(CCCN2)C1
InChIInChI=1S/C13H21N3/c1-4-16(3)12-8-11-6-5-7-14-13(11)10(2)9-15-12/h9,14H,4-8H2,1-3H3
InChIKeyBGTYMOHHUHTIRE-UHFFFAOYSA-N
XLogP2.28
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,9-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-6-amine?
The IUPAC name of N-ethyl-N,9-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-6-amine (CID 69026344) is N-ethyl-N,9-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-6-amine.
What is the SMILES notation for N-ethyl-N,9-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-6-amine?
The canonical SMILES for N-ethyl-N,9-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-6-amine is CCN(C)C1=NC=C(C)C2=C(CCCN2)C1.
What is the InChIKey of N-ethyl-N,9-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-6-amine?
The InChIKey is BGTYMOHHUHTIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-4-16(3)12-8-11-6-5-7-14-13(11)10(2)9-15-12/h9,14H,4-8H2,1-3H3.
What are the key properties of N-ethyl-N,9-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-6-amine?
N-ethyl-N,9-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-6-amine has a molecular weight of 219.33 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,9-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-6-amine is sourced from PubChem (CID 69026344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).