2-(4-methylazepan-1-yl)propan-2-ol

C10H21NO — CID 167215474

IUPAC2-(4-methylazepan-1-yl)propan-2-ol
SMILESCC1CCCN(C(C)(C)O)CC1
InChIInChI=1S/C10H21NO/c1-9-5-4-7-11(8-6-9)10(2,3)12/h9,12H,4-8H2,1-3H3
InChIKeySOKZSBYDKDYUOD-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.84
Rot. Bonds1

About 2-(4-methylazepan-1-yl)propan-2-ol

2-(4-methylazepan-1-yl)propan-2-ol (PubChem CID 167215474) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-(4-methylazepan-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-methylazepan-1-yl)propan-2-ol
PubChem CID167215474
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-(4-methylazepan-1-yl)propan-2-ol
SMILESCC1CCCN(C(C)(C)O)CC1
InChIInChI=1S/C10H21NO/c1-9-5-4-7-11(8-6-9)10(2,3)12/h9,12H,4-8H2,1-3H3
InChIKeySOKZSBYDKDYUOD-UHFFFAOYSA-N
XLogP1.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methylcyclohexane;2-methylpropan-2-ol
CID 174648681
1-hydroxy-4-methylpiperidine;2-methylpropan-2-ol
CID 167511279
1-(2,2-dimethylpropyl)-4-methylazepane
CID 142575360
1-tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;methane
CID 158280327
2-methyl-1-(4-methylcyclohexyl)-2-pyrrolidin-1-ylpropan-1-one
CID 79056853
3,3-dimethyl-1-(4-methylazepan-1-yl)butan-2-one
CID 63622621
3,3-dimethyl-4-(4-methylazepan-1-yl)butan-2-ol
CID 66453480
1-tert-butylazocan-5-ol
CID 137410769
3-amino-3-methyl-1-(4-methylazepan-1-yl)butan-1-one
CID 64677870
2-amino-3,3-dimethyl-1-(4-methylazepan-1-yl)butan-1-one
CID 77002418
2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol
CID 79316334
methylcyclopentane
CID 7296

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylazepan-1-yl)propan-2-ol?
The IUPAC name of 2-(4-methylazepan-1-yl)propan-2-ol (CID 167215474) is 2-(4-methylazepan-1-yl)propan-2-ol.
What is the SMILES notation for 2-(4-methylazepan-1-yl)propan-2-ol?
The canonical SMILES for 2-(4-methylazepan-1-yl)propan-2-ol is CC1CCCN(C(C)(C)O)CC1.
What is the InChIKey of 2-(4-methylazepan-1-yl)propan-2-ol?
The InChIKey is SOKZSBYDKDYUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9-5-4-7-11(8-6-9)10(2,3)12/h9,12H,4-8H2,1-3H3.
What are the key properties of 2-(4-methylazepan-1-yl)propan-2-ol?
2-(4-methylazepan-1-yl)propan-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylazepan-1-yl)propan-2-ol is sourced from PubChem (CID 167215474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).