3-[3-aminopropyl(cycloheptyl)amino]propane-1,2-diol

C13H28N2O2 — CID 82850125

IUPAC3-[3-aminopropyl(cycloheptyl)amino]propane-1,2-diol
SMILESNCCCN(CC(O)CO)C1CCCCCC1
InChIInChI=1S/C13H28N2O2/c14-8-5-9-15(10-13(17)11-16)12-6-3-1-2-4-7-12/h12-13,16-17H,1-11,14H2
InChIKeyFGKSRSCEVKDJKO-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.71
Rot. Bonds7

About 3-[3-aminopropyl(cycloheptyl)amino]propane-1,2-diol

3-[3-aminopropyl(cycloheptyl)amino]propane-1,2-diol (PubChem CID 82850125) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-[3-aminopropyl(cycloheptyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-aminopropyl(cycloheptyl)amino]propane-1,2-diol
PubChem CID82850125
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-[3-aminopropyl(cycloheptyl)amino]propane-1,2-diol
SMILESNCCCN(CC(O)CO)C1CCCCCC1
InChIInChI=1S/C13H28N2O2/c14-8-5-9-15(10-13(17)11-16)12-6-3-1-2-4-7-12/h12-13,16-17H,1-11,14H2
InChIKeyFGKSRSCEVKDJKO-UHFFFAOYSA-N
XLogP0.71
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclobutyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 102867765
3-[cyclopentyl(3-methylbutyl)amino]propane-1,2-diol
CID 82850075
2-[cyclopentyl(2,3-dihydroxypropyl)amino]ethanethioamide
CID 82851165
1-[2-aminoethyl(cyclohexyl)amino]propan-2-ol
CID 65279530
2-[3-aminopropyl(cyclohexyl)amino]propan-1-ol
CID 21469911
N'-cyclopentyl-N'-(cyclopentylmethyl)propane-1,3-diamine
CID 61344091
N'-cyclohexyl-N'-heptylpropane-1,3-diamine
CID 43137640
4-[cyclohexyl(2-hydroxyethyl)amino]-3-hydroxybutanoic acid
CID 82770886
N'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine
CID 102875057
N'-cyclopentyl-N'-nonylpropane-1,3-diamine
CID 43319594
N'-cyclopentyl-N'-hexylpropane-1,3-diamine
CID 43137589
1-amino-3-[cyclopentyl(ethyl)amino]propan-2-ol
CID 43541005

Frequently Asked Questions

What is the IUPAC name of 3-[3-aminopropyl(cycloheptyl)amino]propane-1,2-diol?
The IUPAC name of 3-[3-aminopropyl(cycloheptyl)amino]propane-1,2-diol (CID 82850125) is 3-[3-aminopropyl(cycloheptyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[3-aminopropyl(cycloheptyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[3-aminopropyl(cycloheptyl)amino]propane-1,2-diol is NCCCN(CC(O)CO)C1CCCCCC1.
What is the InChIKey of 3-[3-aminopropyl(cycloheptyl)amino]propane-1,2-diol?
The InChIKey is FGKSRSCEVKDJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c14-8-5-9-15(10-13(17)11-16)12-6-3-1-2-4-7-12/h12-13,16-17H,1-11,14H2.
What are the key properties of 3-[3-aminopropyl(cycloheptyl)amino]propane-1,2-diol?
3-[3-aminopropyl(cycloheptyl)amino]propane-1,2-diol has a molecular weight of 244.38 g/mol, XLogP of 0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-aminopropyl(cycloheptyl)amino]propane-1,2-diol is sourced from PubChem (CID 82850125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).