(2S)-2-methylazepan-4-ol

C7H15NO — CID 155155267

IUPAC(2S)-2-methylazepan-4-ol
SMILESC[C@H]1CC(O)CCCN1
InChIInChI=1S/C7H15NO/c1-6-5-7(9)3-2-4-8-6/h6-9H,2-5H2,1H3/t6-,7?/m0/s1
InChIKeyDHNAAHIDUGGCQE-PKPIPKONSA-N
MW129.20 g/mol
LogP0.51
Rot. Bonds

About (2S)-2-methylazepan-4-ol

(2S)-2-methylazepan-4-ol (PubChem CID 155155267) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (2S)-2-methylazepan-4-ol.

Molecular Properties

Compound Name(2S)-2-methylazepan-4-ol
PubChem CID155155267
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(2S)-2-methylazepan-4-ol
SMILESC[C@H]1CC(O)CCCN1
InChIInChI=1S/C7H15NO/c1-6-5-7(9)3-2-4-8-6/h6-9H,2-5H2,1H3/t6-,7?/m0/s1
InChIKeyDHNAAHIDUGGCQE-PKPIPKONSA-N
XLogP0.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylazepan-4-ol?
The IUPAC name of (2S)-2-methylazepan-4-ol (CID 155155267) is (2S)-2-methylazepan-4-ol.
What is the SMILES notation for (2S)-2-methylazepan-4-ol?
The canonical SMILES for (2S)-2-methylazepan-4-ol is C[C@H]1CC(O)CCCN1.
What is the InChIKey of (2S)-2-methylazepan-4-ol?
The InChIKey is DHNAAHIDUGGCQE-PKPIPKONSA-N. The full InChI is InChI=1S/C7H15NO/c1-6-5-7(9)3-2-4-8-6/h6-9H,2-5H2,1H3/t6-,7?/m0/s1.
What are the key properties of (2S)-2-methylazepan-4-ol?
(2S)-2-methylazepan-4-ol has a molecular weight of 129.20 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylazepan-4-ol is sourced from PubChem (CID 155155267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).