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

C13H27NO — CID 114338642

IUPAC1-(1-butan-2-ylazepan-2-yl)propan-2-ol
SMILESCCC(C)N1CCCCCC1CC(C)O
InChIInChI=1S/C13H27NO/c1-4-11(2)14-9-7-5-6-8-13(14)10-12(3)15/h11-13,15H,4-10H2,1-3H3
InChIKeyMJHQOHRXSLMYLJ-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.80
Rot. Bonds4

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

1-(1-butan-2-ylazepan-2-yl)propan-2-ol (PubChem CID 114338642) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(1-butan-2-ylazepan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-butan-2-ylazepan-2-yl)propan-2-ol
PubChem CID114338642
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(1-butan-2-ylazepan-2-yl)propan-2-ol
SMILESCCC(C)N1CCCCCC1CC(C)O
InChIInChI=1S/C13H27NO/c1-4-11(2)14-9-7-5-6-8-13(14)10-12(3)15/h11-13,15H,4-10H2,1-3H3
InChIKeyMJHQOHRXSLMYLJ-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.80
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-butan-2-ylazepan-2-yl)propan-2-ol?
The IUPAC name of 1-(1-butan-2-ylazepan-2-yl)propan-2-ol (CID 114338642) is 1-(1-butan-2-ylazepan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-butan-2-ylazepan-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-butan-2-ylazepan-2-yl)propan-2-ol is CCC(C)N1CCCCCC1CC(C)O.
What is the InChIKey of 1-(1-butan-2-ylazepan-2-yl)propan-2-ol?
The InChIKey is MJHQOHRXSLMYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-11(2)14-9-7-5-6-8-13(14)10-12(3)15/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 1-(1-butan-2-ylazepan-2-yl)propan-2-ol?
1-(1-butan-2-ylazepan-2-yl)propan-2-ol has a molecular weight of 213.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-ylazepan-2-yl)propan-2-ol is sourced from PubChem (CID 114338642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).