3-amino-6-methylheptan-2-ol

C8H19NO — CID 13245634

IUPAC3-amino-6-methylheptan-2-ol
SMILESCC(C)CCC(N)C(C)O
InChIInChI=1S/C8H19NO/c1-6(2)4-5-8(9)7(3)10/h6-8,10H,4-5,9H2,1-3H3
InChIKeyYFAAGKRJCHSTTF-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.13
Rot. Bonds4

About 3-amino-6-methylheptan-2-ol

3-amino-6-methylheptan-2-ol (PubChem CID 13245634) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 3-amino-6-methylheptan-2-ol.

Molecular Properties

Compound Name3-amino-6-methylheptan-2-ol
PubChem CID13245634
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name3-amino-6-methylheptan-2-ol
SMILESCC(C)CCC(N)C(C)O
InChIInChI=1S/C8H19NO/c1-6(2)4-5-8(9)7(3)10/h6-8,10H,4-5,9H2,1-3H3
InChIKeyYFAAGKRJCHSTTF-UHFFFAOYSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methylheptan-2-ol?
The IUPAC name of 3-amino-6-methylheptan-2-ol (CID 13245634) is 3-amino-6-methylheptan-2-ol.
What is the SMILES notation for 3-amino-6-methylheptan-2-ol?
The canonical SMILES for 3-amino-6-methylheptan-2-ol is CC(C)CCC(N)C(C)O.
What is the InChIKey of 3-amino-6-methylheptan-2-ol?
The InChIKey is YFAAGKRJCHSTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-6(2)4-5-8(9)7(3)10/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of 3-amino-6-methylheptan-2-ol?
3-amino-6-methylheptan-2-ol has a molecular weight of 145.25 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methylheptan-2-ol is sourced from PubChem (CID 13245634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).