2-amino-6-methylheptan-1-ol

C8H19NO — CID 54293237

IUPAC2-amino-6-methylheptan-1-ol
SMILESCC(C)CCCC(N)CO
InChIInChI=1S/C8H19NO/c1-7(2)4-3-5-8(9)6-10/h7-8,10H,3-6,9H2,1-2H3
InChIKeyRYZPHJDRUIQTHH-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.13
Rot. Bonds5

About 2-amino-6-methylheptan-1-ol

2-amino-6-methylheptan-1-ol (PubChem CID 54293237) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 2-amino-6-methylheptan-1-ol.

Molecular Properties

Compound Name2-amino-6-methylheptan-1-ol
PubChem CID54293237
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name2-amino-6-methylheptan-1-ol
SMILESCC(C)CCCC(N)CO
InChIInChI=1S/C8H19NO/c1-7(2)4-3-5-8(9)6-10/h7-8,10H,3-6,9H2,1-2H3
InChIKeyRYZPHJDRUIQTHH-UHFFFAOYSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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 2-amino-6-methylheptan-1-ol?
The IUPAC name of 2-amino-6-methylheptan-1-ol (CID 54293237) is 2-amino-6-methylheptan-1-ol.
What is the SMILES notation for 2-amino-6-methylheptan-1-ol?
The canonical SMILES for 2-amino-6-methylheptan-1-ol is CC(C)CCCC(N)CO.
What is the InChIKey of 2-amino-6-methylheptan-1-ol?
The InChIKey is RYZPHJDRUIQTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-7(2)4-3-5-8(9)6-10/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 2-amino-6-methylheptan-1-ol?
2-amino-6-methylheptan-1-ol has a molecular weight of 145.25 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methylheptan-1-ol is sourced from PubChem (CID 54293237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).