1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol

C12H25NO2 — CID 65122781

IUPAC1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol
SMILESOCCCCNCC1(O)CCCCCC1
InChIInChI=1S/C12H25NO2/c14-10-6-5-9-13-11-12(15)7-3-1-2-4-8-12/h13-15H,1-11H2
InChIKeyJJRWOPFCORYTPQ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.43
Rot. Bonds6

About 1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol

1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol (PubChem CID 65122781) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol
PubChem CID65122781
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol
SMILESOCCCCNCC1(O)CCCCCC1
InChIInChI=1S/C12H25NO2/c14-10-6-5-9-13-11-12(15)7-3-1-2-4-8-12/h13-15H,1-11H2
InChIKeyJJRWOPFCORYTPQ-UHFFFAOYSA-N
XLogP1.43
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol
CID 65108735
1-[(5-hydroxypentylamino)methyl]cyclopentan-1-ol
CID 65111515
1-[(octylamino)methyl]cyclohexan-1-ol
CID 65106974
5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile
CID 65123008
1-[(dodecylamino)methyl]cyclopentan-1-ol
CID 65108837
1-[(pent-4-ynylamino)methyl]cyclohexan-1-ol
CID 115664087
1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol
CID 65211357
1-[(hept-6-enylamino)methyl]cycloheptan-1-ol
CID 107006904
4-[(1-hydroxycycloheptyl)methylamino]butanamide
CID 60908501
4-[(1-hydroxycyclohexyl)methylamino]butanoic acid
CID 65108900
1-[(5-hydroxypentylamino)methyl]-3-methylcyclohexan-1-ol
CID 65120868
4-ethyl-1-[(4-hydroxybutylamino)methyl]cyclohexan-1-ol
CID 65118737

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol (CID 65122781) is 1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol is OCCCCNCC1(O)CCCCCC1.
What is the InChIKey of 1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol?
The InChIKey is JJRWOPFCORYTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c14-10-6-5-9-13-11-12(15)7-3-1-2-4-8-12/h13-15H,1-11H2.
What are the key properties of 1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol?
1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 65122781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).