1-amino-5-methylhexane-2,5-diol

C7H17NO2 — CID 57185432

IUPAC1-amino-5-methylhexane-2,5-diol
SMILESCC(C)(O)CCC(O)CN
InChIInChI=1S/C7H17NO2/c1-7(2,10)4-3-6(9)5-8/h6,9-10H,3-5,8H2,1-2H3
InChIKeyRAGGYQQSASETNE-UHFFFAOYSA-N
MW147.22 g/mol
LogP-0.14
Rot. Bonds4

About 1-amino-5-methylhexane-2,5-diol

1-amino-5-methylhexane-2,5-diol (PubChem CID 57185432) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-amino-5-methylhexane-2,5-diol.

Molecular Properties

Compound Name1-amino-5-methylhexane-2,5-diol
PubChem CID57185432
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name1-amino-5-methylhexane-2,5-diol
SMILESCC(C)(O)CCC(O)CN
InChIInChI=1S/C7H17NO2/c1-7(2,10)4-3-6(9)5-8/h6,9-10H,3-5,8H2,1-2H3
InChIKeyRAGGYQQSASETNE-UHFFFAOYSA-N
XLogP-0.14
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5-methylhexane-2,5-diol?
The IUPAC name of 1-amino-5-methylhexane-2,5-diol (CID 57185432) is 1-amino-5-methylhexane-2,5-diol.
What is the SMILES notation for 1-amino-5-methylhexane-2,5-diol?
The canonical SMILES for 1-amino-5-methylhexane-2,5-diol is CC(C)(O)CCC(O)CN.
What is the InChIKey of 1-amino-5-methylhexane-2,5-diol?
The InChIKey is RAGGYQQSASETNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-7(2,10)4-3-6(9)5-8/h6,9-10H,3-5,8H2,1-2H3.
What are the key properties of 1-amino-5-methylhexane-2,5-diol?
1-amino-5-methylhexane-2,5-diol has a molecular weight of 147.22 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-methylhexane-2,5-diol is sourced from PubChem (CID 57185432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).