N,N-dimethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-6-amine

C11H21N3 — CID 150582155

IUPACN,N-dimethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-6-amine
SMILESCN(C)C1CCCCC2=NCCCN21
InChIInChI=1S/C11H21N3/c1-13(2)11-7-4-3-6-10-12-8-5-9-14(10)11/h11H,3-9H2,1-2H3
InChIKeyIOBHGPPXCSGVCU-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.55
Rot. Bonds1

About N,N-dimethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-6-amine

N,N-dimethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-6-amine (PubChem CID 150582155) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N,N-dimethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-6-amine.

Molecular Properties

Compound NameN,N-dimethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-6-amine
PubChem CID150582155
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN,N-dimethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-6-amine
SMILESCN(C)C1CCCCC2=NCCCN21
InChIInChI=1S/C11H21N3/c1-13(2)11-7-4-3-6-10-12-8-5-9-14(10)11/h11H,3-9H2,1-2H3
InChIKeyIOBHGPPXCSGVCU-UHFFFAOYSA-N
XLogP1.55
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-6-amine with MolForge

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Related Compounds

1,8-Diazabicyclo(5.4.0)undec-7-ene
CID 81184
1,8-Diazabicyclo[5.4.0]-7-undecene Hydrogen Tribromide
CID 56593867
6-Methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
CID 13775860
2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepin-6-amine
CID 23513305
1-Ethyl-1,8-diazabicyclo [5.4.0]undec-7-enium chloride
CID 132275718
1-Butyl-2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium bromide
CID 13717937
CID 12957621
CID 12957621
1-Propyl-2,3,4,6,7,8,9,10-octahydropyrimido-[1,2-a]azepin-1-ium chloride
CID 129741329
1-Butyl-1,8-diazabicyclo[5.4.0]undec-7-enium chloride
CID 129842673
Hydron;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;tribromide
CID 92135236
1-Ethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium
CID 11232773
5-Ethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium
CID 11739001

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-6-amine?
The IUPAC name of N,N-dimethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-6-amine (CID 150582155) is N,N-dimethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-6-amine.
What is the SMILES notation for N,N-dimethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-6-amine?
The canonical SMILES for N,N-dimethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-6-amine is CN(C)C1CCCCC2=NCCCN21.
What is the InChIKey of N,N-dimethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-6-amine?
The InChIKey is IOBHGPPXCSGVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-13(2)11-7-4-3-6-10-12-8-5-9-14(10)11/h11H,3-9H2,1-2H3.
What are the key properties of N,N-dimethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-6-amine?
N,N-dimethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-6-amine has a molecular weight of 195.31 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-6-amine is sourced from PubChem (CID 150582155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).