2-(3-hydroxybutylamino)cycloheptan-1-ol

C11H23NO2 — CID 64911614

IUPAC2-(3-hydroxybutylamino)cycloheptan-1-ol
SMILESCC(O)CCNC1CCCCCC1O
InChIInChI=1S/C11H23NO2/c1-9(13)7-8-12-10-5-3-2-4-6-11(10)14/h9-14H,2-8H2,1H3
InChIKeyDTMBCMCINGPHQL-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.04
Rot. Bonds4

About 2-(3-hydroxybutylamino)cycloheptan-1-ol

2-(3-hydroxybutylamino)cycloheptan-1-ol (PubChem CID 64911614) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(3-hydroxybutylamino)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(3-hydroxybutylamino)cycloheptan-1-ol
PubChem CID64911614
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-(3-hydroxybutylamino)cycloheptan-1-ol
SMILESCC(O)CCNC1CCCCCC1O
InChIInChI=1S/C11H23NO2/c1-9(13)7-8-12-10-5-3-2-4-6-11(10)14/h9-14H,2-8H2,1H3
InChIKeyDTMBCMCINGPHQL-UHFFFAOYSA-N
XLogP1.04
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol
CID 102733575
trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol
CID 106131373
(2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol
CID 96784141
trans-(1R,2R)-2-(3-methylsulfanylbutylamino)cyclohexan-1-ol
CID 102731720
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
(2R)-4-[[(1S,2S)-2-ethylcyclohexyl]amino]butan-2-ol
CID 96784202
4-[(2-methylcyclopentyl)amino]butan-2-ol
CID 65046023
trans-(1R,2R)-2-(4-methylpentylamino)cyclopentan-1-ol
CID 102733178
trans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol
CID 102733877
trans-(1R,2R)-2-[2-(2-methylpropoxy)ethylamino]cyclohexan-1-ol
CID 102731750
trans-(1R,2R)-2-[(5-hydroxy-4-methylpentyl)amino]cyclopentan-1-ol
CID 106159975
2-(3,3-dimethylbutylamino)cyclohexan-1-ol
CID 62359482

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutylamino)cycloheptan-1-ol?
The IUPAC name of 2-(3-hydroxybutylamino)cycloheptan-1-ol (CID 64911614) is 2-(3-hydroxybutylamino)cycloheptan-1-ol.
What is the SMILES notation for 2-(3-hydroxybutylamino)cycloheptan-1-ol?
The canonical SMILES for 2-(3-hydroxybutylamino)cycloheptan-1-ol is CC(O)CCNC1CCCCCC1O.
What is the InChIKey of 2-(3-hydroxybutylamino)cycloheptan-1-ol?
The InChIKey is DTMBCMCINGPHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(13)7-8-12-10-5-3-2-4-6-11(10)14/h9-14H,2-8H2,1H3.
What are the key properties of 2-(3-hydroxybutylamino)cycloheptan-1-ol?
2-(3-hydroxybutylamino)cycloheptan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutylamino)cycloheptan-1-ol is sourced from PubChem (CID 64911614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).