1-(1-propan-2-ylazepan-2-yl)propan-2-ol

C12H25NO — CID 114338881

IUPAC1-(1-propan-2-ylazepan-2-yl)propan-2-ol
SMILESCC(O)CC1CCCCCN1C(C)C
InChIInChI=1S/C12H25NO/c1-10(2)13-8-6-4-5-7-12(13)9-11(3)14/h10-12,14H,4-9H2,1-3H3
InChIKeyRPBHBUIFXVNZJW-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.41
Rot. Bonds3

About 1-(1-propan-2-ylazepan-2-yl)propan-2-ol

1-(1-propan-2-ylazepan-2-yl)propan-2-ol (PubChem CID 114338881) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(1-propan-2-ylazepan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-propan-2-ylazepan-2-yl)propan-2-ol
PubChem CID114338881
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(1-propan-2-ylazepan-2-yl)propan-2-ol
SMILESCC(O)CC1CCCCCN1C(C)C
InChIInChI=1S/C12H25NO/c1-10(2)13-8-6-4-5-7-12(13)9-11(3)14/h10-12,14H,4-9H2,1-3H3
InChIKeyRPBHBUIFXVNZJW-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Methylpiperidin-2-yl)propan-2-ol
CID 11972082
N-methyl-2-(2-hydroxybutyl)-6-(2-hydroxypentyl)-piperidine
CID 398123
(-)-N-Methylsedridine
CID 15226582
1-[6-(2-Hydroxybutyl)-1-methylpiperidin-2-yl]butan-2-ol
CID 162851712
1-[6-(2-Hydroxypropyl)-1-methylpiperidin-2-yl]butan-2-ol
CID 163032585
(1-Ethyl-2-azepanyl)methanol
CID 2849413
(+)-N-Methylallosedridine
CID 10888171
1-[6-(2-Hydroxybutyl)-1-methylpiperidin-2-yl]pentan-2-ol
CID 15838352
trans-(1S,2S)-6-(dimethylamino)-2-fluorocycloheptan-1-ol
CID 167305724
10-(Dimethylamino)undecan-4-ol
CID 109342
alpha-Ethyl-1-methyl-2-piperidineethanol
CID 11972083
1-Methyl-alpha-pentyl-2-piperidineethanol
CID 11972087

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylazepan-2-yl)propan-2-ol?
The IUPAC name of 1-(1-propan-2-ylazepan-2-yl)propan-2-ol (CID 114338881) is 1-(1-propan-2-ylazepan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-propan-2-ylazepan-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-propan-2-ylazepan-2-yl)propan-2-ol is CC(O)CC1CCCCCN1C(C)C.
What is the InChIKey of 1-(1-propan-2-ylazepan-2-yl)propan-2-ol?
The InChIKey is RPBHBUIFXVNZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)13-8-6-4-5-7-12(13)9-11(3)14/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 1-(1-propan-2-ylazepan-2-yl)propan-2-ol?
1-(1-propan-2-ylazepan-2-yl)propan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylazepan-2-yl)propan-2-ol is sourced from PubChem (CID 114338881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).