3-(cyclopropylamino)-2-methylpropane-1,2-diol

C7H15NO2 — CID 66335197

IUPAC3-(cyclopropylamino)-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNC1CC1
InChIInChI=1S/C7H15NO2/c1-7(10,5-9)4-8-6-2-3-6/h6,8-10H,2-5H2,1H3
InChIKeyIBSKVDQSNARECC-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.52
Rot. Bonds4

About 3-(cyclopropylamino)-2-methylpropane-1,2-diol

3-(cyclopropylamino)-2-methylpropane-1,2-diol (PubChem CID 66335197) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-(cyclopropylamino)-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-(cyclopropylamino)-2-methylpropane-1,2-diol
PubChem CID66335197
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-(cyclopropylamino)-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNC1CC1
InChIInChI=1S/C7H15NO2/c1-7(10,5-9)4-8-6-2-3-6/h6,8-10H,2-5H2,1H3
InChIKeyIBSKVDQSNARECC-UHFFFAOYSA-N
XLogP-0.52
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1,1-dioxothian-4-yl)amino]-2-methylpropane-1,2-diol
CID 66168318
3-[(4-ethylcycloheptyl)amino]-2-methylpropane-1,2-diol
CID 66169877
1-(cyclopropylamino)-2-methyloctan-2-ol
CID 62774325
2-(cyclopentylamino)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66186275
1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)-2-methylpropan-2-ol
CID 66334601
1-butoxy-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66334437
1-[(4-tert-butylcyclohexyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 103699660
1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-2-ol
CID 104561121
3-[(4-ethylcyclohexyl)amino]-2,2-dimethylpropan-1-ol
CID 81412355
2-cyclopentyl-1-(cyclopentylamino)propan-2-ol
CID 82239501
2-methyl-1-methylsulfanyl-3-[(4-propan-2-ylcyclohexyl)amino]propan-2-ol
CID 103699659
1-(cyclopropylamino)-2-methyl-5-methylsulfonylpentan-2-ol
CID 66039408

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-2-methylpropane-1,2-diol?
The IUPAC name of 3-(cyclopropylamino)-2-methylpropane-1,2-diol (CID 66335197) is 3-(cyclopropylamino)-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-(cyclopropylamino)-2-methylpropane-1,2-diol?
The canonical SMILES for 3-(cyclopropylamino)-2-methylpropane-1,2-diol is CC(O)(CO)CNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-2-methylpropane-1,2-diol?
The InChIKey is IBSKVDQSNARECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(10,5-9)4-8-6-2-3-6/h6,8-10H,2-5H2,1H3.
What are the key properties of 3-(cyclopropylamino)-2-methylpropane-1,2-diol?
3-(cyclopropylamino)-2-methylpropane-1,2-diol has a molecular weight of 145.20 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-2-methylpropane-1,2-diol is sourced from PubChem (CID 66335197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).