(3R)-1-propan-2-ylazepan-3-ol

C9H19NO — CID 162493716

IUPAC(3R)-1-propan-2-ylazepan-3-ol
SMILESCC(C)N1CCCC[C@@H](O)C1
InChIInChI=1S/C9H19NO/c1-8(2)10-6-4-3-5-9(11)7-10/h8-9,11H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyKBXAEONQABXQGD-SECBINFHSA-N
MW157.26 g/mol
LogP1.24
Rot. Bonds1

About (3R)-1-propan-2-ylazepan-3-ol

(3R)-1-propan-2-ylazepan-3-ol (PubChem CID 162493716) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (3R)-1-propan-2-ylazepan-3-ol.

Molecular Properties

Compound Name(3R)-1-propan-2-ylazepan-3-ol
PubChem CID162493716
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(3R)-1-propan-2-ylazepan-3-ol
SMILESCC(C)N1CCCC[C@@H](O)C1
InChIInChI=1S/C9H19NO/c1-8(2)10-6-4-3-5-9(11)7-10/h8-9,11H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyKBXAEONQABXQGD-SECBINFHSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

fluoromethane;1-propan-2-ylpiperidin-3-ol
CID 176976990
acetonitrile;1-propan-2-ylpiperidin-3-ol
CID 144865621
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
1-(1-cyclopropylethyl)piperidin-3-ol
CID 130668092
(3S,4S)-1-propan-2-ylazepane-3,4-diol
CID 166157364
1-propan-2-ylazepane-3-carboxylic acid
CID 83618658
1-(1-hydroxypropan-2-yl)piperidin-3-ol
CID 77452138
bis(3-methyl-1-propan-2-ylazetidin-3-ol);bis((3S)-3-methyl-1-propan-2-ylpyrrolidin-3-ol);1-propan-2-ylpyrrolidine;bis((3S)-1-propan-2-ylpyrrolidin-3-ol)
CID 167683219
1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60677400
1-(1-cyclopropylpropan-2-yl)piperidin-3-ol
CID 130652123
(3R)-1-(2-methylpropyl)azepan-3-ol
CID 171752832
1-methylazepan-3-ol
CID 22636113

Frequently Asked Questions

What is the IUPAC name of (3R)-1-propan-2-ylazepan-3-ol?
The IUPAC name of (3R)-1-propan-2-ylazepan-3-ol (CID 162493716) is (3R)-1-propan-2-ylazepan-3-ol.
What is the SMILES notation for (3R)-1-propan-2-ylazepan-3-ol?
The canonical SMILES for (3R)-1-propan-2-ylazepan-3-ol is CC(C)N1CCCC[C@@H](O)C1.
What is the InChIKey of (3R)-1-propan-2-ylazepan-3-ol?
The InChIKey is KBXAEONQABXQGD-SECBINFHSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)10-6-4-3-5-9(11)7-10/h8-9,11H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-1-propan-2-ylazepan-3-ol?
(3R)-1-propan-2-ylazepan-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-propan-2-ylazepan-3-ol is sourced from PubChem (CID 162493716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).