5-amino-3-(aminomethyl)-2-methylpentan-2-ol

C7H18N2O — CID 173461843

IUPAC5-amino-3-(aminomethyl)-2-methylpentan-2-ol
SMILESCC(C)(O)C(CN)CCN
InChIInChI=1S/C7H18N2O/c1-7(2,10)6(5-9)3-4-8/h6,10H,3-5,8-9H2,1-2H3
InChIKeyYYMAEVOXQPMTHP-UHFFFAOYSA-N
MW146.23 g/mol
LogP-0.32
Rot. Bonds4

About 5-amino-3-(aminomethyl)-2-methylpentan-2-ol

5-amino-3-(aminomethyl)-2-methylpentan-2-ol (PubChem CID 173461843) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 5-amino-3-(aminomethyl)-2-methylpentan-2-ol.

Molecular Properties

Compound Name5-amino-3-(aminomethyl)-2-methylpentan-2-ol
PubChem CID173461843
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name5-amino-3-(aminomethyl)-2-methylpentan-2-ol
SMILESCC(C)(O)C(CN)CCN
InChIInChI=1S/C7H18N2O/c1-7(2,10)6(5-9)3-4-8/h6,10H,3-5,8-9H2,1-2H3
InChIKeyYYMAEVOXQPMTHP-UHFFFAOYSA-N
XLogP-0.32
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4,4-dimethylpentan-1-amine
CID 134419150
6-amino-4-ethyl-2-methylhexan-2-ol
CID 146359266
3-ethyl-4-fluoro-4-methylpentan-1-amine
CID 105429104
1-amino-4,4-dimethylpentan-3-ol
CID 55283756
3-(methoxymethyl)-4,4-dimethylpentan-1-amine
CID 115012519
2,6-diaminohexane-2,4-diol
CID 90758959
4-(aminomethyl)-3-ethylheptan-3-ol
CID 79416340
4-(aminomethyl)-5-methylnonan-5-ol
CID 165443396
4-(2-hydroxypropan-2-yl)-2,6-dimethylheptane-2,6-diol
CID 87814111
3-(aminomethyl)-4,5-dimethylheptan-4-ol
CID 79134739
3-(2-fluoropropan-2-yl)-5-methylhexan-1-amine
CID 105436305
4-(aminomethyl)hexane-3,3-diol
CID 175462556

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(aminomethyl)-2-methylpentan-2-ol?
The IUPAC name of 5-amino-3-(aminomethyl)-2-methylpentan-2-ol (CID 173461843) is 5-amino-3-(aminomethyl)-2-methylpentan-2-ol.
What is the SMILES notation for 5-amino-3-(aminomethyl)-2-methylpentan-2-ol?
The canonical SMILES for 5-amino-3-(aminomethyl)-2-methylpentan-2-ol is CC(C)(O)C(CN)CCN.
What is the InChIKey of 5-amino-3-(aminomethyl)-2-methylpentan-2-ol?
The InChIKey is YYMAEVOXQPMTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-7(2,10)6(5-9)3-4-8/h6,10H,3-5,8-9H2,1-2H3.
What are the key properties of 5-amino-3-(aminomethyl)-2-methylpentan-2-ol?
5-amino-3-(aminomethyl)-2-methylpentan-2-ol has a molecular weight of 146.23 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(aminomethyl)-2-methylpentan-2-ol is sourced from PubChem (CID 173461843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).