1-amino-3-methylhexan-2-ol;ethane

C9H23NO — CID 143109936

IUPAC1-amino-3-methylhexan-2-ol;ethane
SMILESCC.CCCC(C)C(O)CN
InChIInChI=1S/C7H17NO.C2H6/c1-3-4-6(2)7(9)5-8;1-2/h6-7,9H,3-5,8H2,1-2H3;1-2H3
InChIKeyLYGYGGQNBHIMHJ-UHFFFAOYSA-N
MW161.29 g/mol
LogP1.77
Rot. Bonds4

About 1-amino-3-methylhexan-2-ol;ethane

1-amino-3-methylhexan-2-ol;ethane (PubChem CID 143109936) has the molecular formula C9H23NO and a molecular weight of 161.29 g/mol. Its IUPAC name is 1-amino-3-methylhexan-2-ol;ethane.

Molecular Properties

Compound Name1-amino-3-methylhexan-2-ol;ethane
PubChem CID143109936
Molecular FormulaC9H23NO
Molecular Weight161.29 g/mol
Exact Mass161.18
IUPAC Name1-amino-3-methylhexan-2-ol;ethane
SMILESCC.CCCC(C)C(O)CN
InChIInChI=1S/C7H17NO.C2H6/c1-3-4-6(2)7(9)5-8;1-2/h6-7,9H,3-5,8H2,1-2H3;1-2H3
InChIKeyLYGYGGQNBHIMHJ-UHFFFAOYSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methylhexan-2-ol;ethane?
The IUPAC name of 1-amino-3-methylhexan-2-ol;ethane (CID 143109936) is 1-amino-3-methylhexan-2-ol;ethane.
What is the SMILES notation for 1-amino-3-methylhexan-2-ol;ethane?
The canonical SMILES for 1-amino-3-methylhexan-2-ol;ethane is CC.CCCC(C)C(O)CN.
What is the InChIKey of 1-amino-3-methylhexan-2-ol;ethane?
The InChIKey is LYGYGGQNBHIMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.C2H6/c1-3-4-6(2)7(9)5-8;1-2/h6-7,9H,3-5,8H2,1-2H3;1-2H3.
What are the key properties of 1-amino-3-methylhexan-2-ol;ethane?
1-amino-3-methylhexan-2-ol;ethane has a molecular weight of 161.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methylhexan-2-ol;ethane is sourced from PubChem (CID 143109936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).