N-methyl-2,3,7,8,9,10-hexahydro-1H-pyrido[1,2-a][1,3]diazepin-10a-amine

C10H19N3 — CID 22418678

IUPACN-methyl-2,3,7,8,9,10-hexahydro-1H-pyrido[1,2-a][1,3]diazepin-10a-amine
SMILESCNC12CCCCN1C=CCCN2
InChIInChI=1S/C10H19N3/c1-11-10-6-2-4-8-13(10)9-5-3-7-12-10/h5,9,11-12H,2-4,6-8H2,1H3
InChIKeyQVMQLBNJKSXPGW-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.85
Rot. Bonds1

About N-methyl-2,3,7,8,9,10-hexahydro-1H-pyrido[1,2-a][1,3]diazepin-10a-amine

N-methyl-2,3,7,8,9,10-hexahydro-1H-pyrido[1,2-a][1,3]diazepin-10a-amine (PubChem CID 22418678) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-methyl-2,3,7,8,9,10-hexahydro-1H-pyrido[1,2-a][1,3]diazepin-10a-amine.

Molecular Properties

Compound NameN-methyl-2,3,7,8,9,10-hexahydro-1H-pyrido[1,2-a][1,3]diazepin-10a-amine
PubChem CID22418678
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-methyl-2,3,7,8,9,10-hexahydro-1H-pyrido[1,2-a][1,3]diazepin-10a-amine
SMILESCNC12CCCCN1C=CCCN2
InChIInChI=1S/C10H19N3/c1-11-10-6-2-4-8-13(10)9-5-3-7-12-10/h5,9,11-12H,2-4,6-8H2,1H3
InChIKeyQVMQLBNJKSXPGW-UHFFFAOYSA-N
XLogP0.85
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-2,3,7,8,9,10-hexahydro-1H-pyrido[1,2-a][1,3]diazepin-10a-amine with MolForge

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Related Compounds

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N-methyl-2,3,4,8,9,10-hexahydro-1H-pyrimido[1,2-a]azepin-10a-amine
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2,3,4,8,9,10-hexahydro-1H-pyrimido[1,2-a]azepin-10a-amine
CID 56628724
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1,2,3,7,8,9,10,10a-Octahydropyrido[1,2-a][1,3]diazepine
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Frequently Asked Questions

What is the IUPAC name of N-methyl-2,3,7,8,9,10-hexahydro-1H-pyrido[1,2-a][1,3]diazepin-10a-amine?
The IUPAC name of N-methyl-2,3,7,8,9,10-hexahydro-1H-pyrido[1,2-a][1,3]diazepin-10a-amine (CID 22418678) is N-methyl-2,3,7,8,9,10-hexahydro-1H-pyrido[1,2-a][1,3]diazepin-10a-amine.
What is the SMILES notation for N-methyl-2,3,7,8,9,10-hexahydro-1H-pyrido[1,2-a][1,3]diazepin-10a-amine?
The canonical SMILES for N-methyl-2,3,7,8,9,10-hexahydro-1H-pyrido[1,2-a][1,3]diazepin-10a-amine is CNC12CCCCN1C=CCCN2.
What is the InChIKey of N-methyl-2,3,7,8,9,10-hexahydro-1H-pyrido[1,2-a][1,3]diazepin-10a-amine?
The InChIKey is QVMQLBNJKSXPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-11-10-6-2-4-8-13(10)9-5-3-7-12-10/h5,9,11-12H,2-4,6-8H2,1H3.
What are the key properties of N-methyl-2,3,7,8,9,10-hexahydro-1H-pyrido[1,2-a][1,3]diazepin-10a-amine?
N-methyl-2,3,7,8,9,10-hexahydro-1H-pyrido[1,2-a][1,3]diazepin-10a-amine has a molecular weight of 181.28 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,3,7,8,9,10-hexahydro-1H-pyrido[1,2-a][1,3]diazepin-10a-amine is sourced from PubChem (CID 22418678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).