1-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-yl)propan-2-ol

C12H22N2O — CID 66808112

IUPAC1-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-yl)propan-2-ol
SMILESCC(O)CC1CCCCN2CCCN=C12
InChIInChI=1S/C12H22N2O/c1-10(15)9-11-5-2-3-7-14-8-4-6-13-12(11)14/h10-11,15H,2-9H2,1H3
InChIKeyFZBFHIZXBALZCU-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.66
Rot. Bonds2

About 1-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-yl)propan-2-ol

1-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-yl)propan-2-ol (PubChem CID 66808112) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-yl)propan-2-ol
PubChem CID66808112
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-yl)propan-2-ol
SMILESCC(O)CC1CCCCN2CCCN=C12
InChIInChI=1S/C12H22N2O/c1-10(15)9-11-5-2-3-7-14-8-4-6-13-12(11)14/h10-11,15H,2-9H2,1H3
InChIKeyFZBFHIZXBALZCU-UHFFFAOYSA-N
XLogP1.66
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-yl)propan-2-ol with MolForge

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Related Compounds

10-[(4-ethenylphenyl)methyl]-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
CID 139496459
11-methyl-3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine
CID 137448239
2-(2-hydroxypropyl)cyclohexan-1-one
CID 15557851
2-(2-hydroxypropyl)cyclopentan-1-one
CID 79429477
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79549260
2-(2-hydroxypropyl)-N,N-dimethylpyrrolidine-1-carboxamide
CID 79547049
N-ethyl-2-(2-hydroxypropyl)-N-methylazepane-1-carboxamide
CID 79559941
[2-(2-hydroxypropyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 79538087
1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 79548971
1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol
CID 114338880

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-yl)propan-2-ol?
The IUPAC name of 1-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-yl)propan-2-ol (CID 66808112) is 1-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-yl)propan-2-ol.
What is the SMILES notation for 1-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-yl)propan-2-ol?
The canonical SMILES for 1-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-yl)propan-2-ol is CC(O)CC1CCCCN2CCCN=C12.
What is the InChIKey of 1-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-yl)propan-2-ol?
The InChIKey is FZBFHIZXBALZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(15)9-11-5-2-3-7-14-8-4-6-13-12(11)14/h10-11,15H,2-9H2,1H3.
What are the key properties of 1-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-yl)propan-2-ol?
1-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-yl)propan-2-ol has a molecular weight of 210.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-yl)propan-2-ol is sourced from PubChem (CID 66808112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).