1-amino-4-methoxycyclohexan-1-ol

C7H15NO2 — CID 170572997

IUPAC1-amino-4-methoxycyclohexan-1-ol
SMILESCOC1CCC(N)(O)CC1
InChIInChI=1S/C7H15NO2/c1-10-6-2-4-7(8,9)5-3-6/h6,9H,2-5,8H2,1H3
InChIKeyAQIOTYDORRRKDW-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.22
Rot. Bonds1

About 1-amino-4-methoxycyclohexan-1-ol

1-amino-4-methoxycyclohexan-1-ol (PubChem CID 170572997) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-amino-4-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name1-amino-4-methoxycyclohexan-1-ol
PubChem CID170572997
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name1-amino-4-methoxycyclohexan-1-ol
SMILESCOC1CCC(N)(O)CC1
InChIInChI=1S/C7H15NO2/c1-10-6-2-4-7(8,9)5-3-6/h6,9H,2-5,8H2,1H3
InChIKeyAQIOTYDORRRKDW-UHFFFAOYSA-N
XLogP0.22
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-1-methylcyclohexan-1-amine
CID 59419772
1-ethenyl-4-methoxycyclohexan-1-ol
CID 12643103
1,1-dichloro-4-methoxycyclohexane
CID 123609119
(4-methoxy-1-methylcyclohexyl)azanium
CID 143542596
ethane;ethyl 1-hydroxy-4-methoxycyclohexane-1-carboxylate
CID 143528155
2-(1-amino-4-methoxycyclohexyl)acetonitrile
CID 155664296
(1-amino-4-methoxycyclohexyl)methylcarbamic acid
CID 138598418
4-methoxycyclohexane-1,1-dicarboxylate
CID 140732737
1-(4-amino-4-hydroxycyclohexyl)ethanone
CID 45108322
ethane-1,2-diol;methoxycyclopropane
CID 174681664
(2R)-6-methoxyspiro[2.5]octane-2-carboxylic acid
CID 98041240
1,1-difluoro-4-methoxycyclooctane
CID 129088845

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-methoxycyclohexan-1-ol?
The IUPAC name of 1-amino-4-methoxycyclohexan-1-ol (CID 170572997) is 1-amino-4-methoxycyclohexan-1-ol.
What is the SMILES notation for 1-amino-4-methoxycyclohexan-1-ol?
The canonical SMILES for 1-amino-4-methoxycyclohexan-1-ol is COC1CCC(N)(O)CC1.
What is the InChIKey of 1-amino-4-methoxycyclohexan-1-ol?
The InChIKey is AQIOTYDORRRKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-10-6-2-4-7(8,9)5-3-6/h6,9H,2-5,8H2,1H3.
What are the key properties of 1-amino-4-methoxycyclohexan-1-ol?
1-amino-4-methoxycyclohexan-1-ol has a molecular weight of 145.20 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-methoxycyclohexan-1-ol is sourced from PubChem (CID 170572997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).