4-(cycloheptylmethylamino)-1-methoxybutan-2-ol

C13H27NO2 — CID 103876173

IUPAC4-(cycloheptylmethylamino)-1-methoxybutan-2-ol
SMILESCOCC(O)CCNCC1CCCCCC1
InChIInChI=1S/C13H27NO2/c1-16-11-13(15)8-9-14-10-12-6-4-2-3-5-7-12/h12-15H,2-11H2,1H3
InChIKeyILCTTXJUXFQLGQ-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds7

About 4-(cycloheptylmethylamino)-1-methoxybutan-2-ol

4-(cycloheptylmethylamino)-1-methoxybutan-2-ol (PubChem CID 103876173) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-(cycloheptylmethylamino)-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-(cycloheptylmethylamino)-1-methoxybutan-2-ol
PubChem CID103876173
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-(cycloheptylmethylamino)-1-methoxybutan-2-ol
SMILESCOCC(O)CCNCC1CCCCCC1
InChIInChI=1S/C13H27NO2/c1-16-11-13(15)8-9-14-10-12-6-4-2-3-5-7-12/h12-15H,2-11H2,1H3
InChIKeyILCTTXJUXFQLGQ-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 115757169
N-(cyclohexylmethyl)-3,3-dimethoxypropan-1-amine
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CID 103877418
1-methoxy-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butan-2-ol
CID 106246735
N-(cyclohexylmethyl)-3-methoxypropan-1-amine
CID 17207140
N-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 43317373
1-(cyclooctylmethyl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426766
1-(azepan-1-yl)-2-[(3-hydroxy-4-methoxybutyl)amino]ethanone
CID 114163624
N-(3-hydroxy-4-methoxybutyl)cyclopentanesulfonamide
CID 103875926
N-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine
CID 81094480
N-(cyclohexylmethyl)-4-methylpentan-1-amine
CID 60743779
N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine
CID 61483668

Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptylmethylamino)-1-methoxybutan-2-ol?
The IUPAC name of 4-(cycloheptylmethylamino)-1-methoxybutan-2-ol (CID 103876173) is 4-(cycloheptylmethylamino)-1-methoxybutan-2-ol.
What is the SMILES notation for 4-(cycloheptylmethylamino)-1-methoxybutan-2-ol?
The canonical SMILES for 4-(cycloheptylmethylamino)-1-methoxybutan-2-ol is COCC(O)CCNCC1CCCCCC1.
What is the InChIKey of 4-(cycloheptylmethylamino)-1-methoxybutan-2-ol?
The InChIKey is ILCTTXJUXFQLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-16-11-13(15)8-9-14-10-12-6-4-2-3-5-7-12/h12-15H,2-11H2,1H3.
What are the key properties of 4-(cycloheptylmethylamino)-1-methoxybutan-2-ol?
4-(cycloheptylmethylamino)-1-methoxybutan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptylmethylamino)-1-methoxybutan-2-ol is sourced from PubChem (CID 103876173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).