7-(1-hydroxypropylamino)heptane-1,1-diol

C10H23NO3 — CID 149148660

IUPAC7-(1-hydroxypropylamino)heptane-1,1-diol
SMILESCCC(O)NCCCCCCC(O)O
InChIInChI=1S/C10H23NO3/c1-2-9(12)11-8-6-4-3-5-7-10(13)14/h9-14H,2-8H2,1H3
InChIKeyRLJDCFUKZASCNS-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.57
Rot. Bonds9

About 7-(1-hydroxypropylamino)heptane-1,1-diol

7-(1-hydroxypropylamino)heptane-1,1-diol (PubChem CID 149148660) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 7-(1-hydroxypropylamino)heptane-1,1-diol.

Molecular Properties

Compound Name7-(1-hydroxypropylamino)heptane-1,1-diol
PubChem CID149148660
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name7-(1-hydroxypropylamino)heptane-1,1-diol
SMILESCCC(O)NCCCCCCC(O)O
InChIInChI=1S/C10H23NO3/c1-2-9(12)11-8-6-4-3-5-7-10(13)14/h9-14H,2-8H2,1H3
InChIKeyRLJDCFUKZASCNS-UHFFFAOYSA-N
XLogP0.57
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-(1-hydroxypropylamino)heptane-1,1-diol 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

1-(hexylamino)propan-1-ol
CID 57070645
1-[3-(1-hydroxypropylamino)propylamino]propan-1-ol
CID 87634862
(1S)-1-(butylamino)propan-1-ol
CID 153016894
1-(pentylamino)dodecan-1-ol
CID 88518034
1-(hexadecylamino)docosan-1-ol
CID 88518088
1-(octylamino)dodecan-1-ol
CID 88518081
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
decane;dodecane-1,1-diol
CID 162011285
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
nonacosane-1,1-diol
CID 23066924
1-(butylamino)dodecan-1-ol
CID 88517958
1-(butylamino)heptan-1-ol
CID 88518025

Frequently Asked Questions

What is the IUPAC name of 7-(1-hydroxypropylamino)heptane-1,1-diol?
The IUPAC name of 7-(1-hydroxypropylamino)heptane-1,1-diol (CID 149148660) is 7-(1-hydroxypropylamino)heptane-1,1-diol.
What is the SMILES notation for 7-(1-hydroxypropylamino)heptane-1,1-diol?
The canonical SMILES for 7-(1-hydroxypropylamino)heptane-1,1-diol is CCC(O)NCCCCCCC(O)O.
What is the InChIKey of 7-(1-hydroxypropylamino)heptane-1,1-diol?
The InChIKey is RLJDCFUKZASCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-2-9(12)11-8-6-4-3-5-7-10(13)14/h9-14H,2-8H2,1H3.
What are the key properties of 7-(1-hydroxypropylamino)heptane-1,1-diol?
7-(1-hydroxypropylamino)heptane-1,1-diol has a molecular weight of 205.30 g/mol, XLogP of 0.57, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-hydroxypropylamino)heptane-1,1-diol is sourced from PubChem (CID 149148660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).