7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol

C13H29NO2 — CID 178129959

IUPAC7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol
SMILESCC(C)N(CCCO)CCCCCCCO
InChIInChI=1S/C13H29NO2/c1-13(2)14(10-8-12-16)9-6-4-3-5-7-11-15/h13,15-16H,3-12H2,1-2H3
InChIKeyVWXBRZPBEGBCSV-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.02
Rot. Bonds11

About 7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol

7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol (PubChem CID 178129959) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol.

Molecular Properties

Compound Name7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol
PubChem CID178129959
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol
SMILESCC(C)N(CCCO)CCCCCCCO
InChIInChI=1S/C13H29NO2/c1-13(2)14(10-8-12-16)9-6-4-3-5-7-11-15/h13,15-16H,3-12H2,1-2H3
InChIKeyVWXBRZPBEGBCSV-UHFFFAOYSA-N
XLogP2.02
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.02
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

3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol
CID 175071947
3-[hept-6-enyl(propan-2-yl)amino]propan-1-ol
CID 107010084
3-[3-[methyl(propan-2-yl)amino]propyl-propan-2-ylamino]propan-1-ol
CID 166090876
5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 62228231
2-[6-hydroxyhexyl(propan-2-yl)amino]acetic acid
CID 107704478
methyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate
CID 62227556
3-[pent-3-ynyl(propan-2-yl)amino]propan-1-ol
CID 104810193
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
3-[(3-amino-4,4-dimethylpentyl)-propan-2-ylamino]propan-1-ol
CID 62623197
N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide
CID 76911093
3-[2-(3-methylbutoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62015016
3-[(4-amino-3,3-dimethylbutyl)-propan-2-ylamino]propan-1-ol
CID 65247313

Frequently Asked Questions

What is the IUPAC name of 7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol?
The IUPAC name of 7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol (CID 178129959) is 7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol.
What is the SMILES notation for 7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol?
The canonical SMILES for 7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol is CC(C)N(CCCO)CCCCCCCO.
What is the InChIKey of 7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol?
The InChIKey is VWXBRZPBEGBCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-13(2)14(10-8-12-16)9-6-4-3-5-7-11-15/h13,15-16H,3-12H2,1-2H3.
What are the key properties of 7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol?
7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol has a molecular weight of 231.38 g/mol, XLogP of 2.02, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol is sourced from PubChem (CID 178129959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).