1-(3-hydroxyhexylamino)hexan-3-ol

C12H27NO2 — CID 19936302

IUPAC1-(3-hydroxyhexylamino)hexan-3-ol
SMILESCCCC(O)CCNCCC(O)CCC
InChIInChI=1S/C12H27NO2/c1-3-5-11(14)7-9-13-10-8-12(15)6-4-2/h11-15H,3-10H2,1-2H3
InChIKeyBZHQZGNTLUWSIW-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.68
Rot. Bonds10

About 1-(3-hydroxyhexylamino)hexan-3-ol

1-(3-hydroxyhexylamino)hexan-3-ol (PubChem CID 19936302) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1-(3-hydroxyhexylamino)hexan-3-ol.

Molecular Properties

Compound Name1-(3-hydroxyhexylamino)hexan-3-ol
PubChem CID19936302
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1-(3-hydroxyhexylamino)hexan-3-ol
SMILESCCCC(O)CCNCCC(O)CCC
InChIInChI=1S/C12H27NO2/c1-3-5-11(14)7-9-13-10-8-12(15)6-4-2/h11-15H,3-10H2,1-2H3
InChIKeyBZHQZGNTLUWSIW-UHFFFAOYSA-N
XLogP1.68
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-hydroxyhexylamino)hexan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-hydroxyhexyl)formamide
CID 54084231
(4R,8R)-undecane-4,8-diol
CID 101372142
(7R)-18-(heptadecylamino)octadecan-7-ol
CID 88529231
hexan-3-ol
CID 12178
hexane-1,3-diol;hydrochloride
CID 141150111
tetrakis(hexane-1,3-diol);titanium
CID 173060887
(Z)-1-(2-aminoethylamino)octadec-9-en-3-ol
CID 139659771
(2S)-4-(ethylamino)-1-[4-[4-(ethylamino)butylamino]butylamino]butan-2-ol
CID 155469178
hexan-3-ol;λ2-plumbane
CID 174675580
4-(heptylamino)-1-methoxybutan-2-ol
CID 106245003
(4S)-nonadecan-4-ol
CID 89325355
3-ethyl-N-(3-ethylhexyl)hexan-1-amine
CID 19083272

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyhexylamino)hexan-3-ol?
The IUPAC name of 1-(3-hydroxyhexylamino)hexan-3-ol (CID 19936302) is 1-(3-hydroxyhexylamino)hexan-3-ol.
What is the SMILES notation for 1-(3-hydroxyhexylamino)hexan-3-ol?
The canonical SMILES for 1-(3-hydroxyhexylamino)hexan-3-ol is CCCC(O)CCNCCC(O)CCC.
What is the InChIKey of 1-(3-hydroxyhexylamino)hexan-3-ol?
The InChIKey is BZHQZGNTLUWSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-3-5-11(14)7-9-13-10-8-12(15)6-4-2/h11-15H,3-10H2,1-2H3.
What are the key properties of 1-(3-hydroxyhexylamino)hexan-3-ol?
1-(3-hydroxyhexylamino)hexan-3-ol has a molecular weight of 217.35 g/mol, XLogP of 1.68, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyhexylamino)hexan-3-ol is sourced from PubChem (CID 19936302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).