6-amino-2,2-dimethylheptan-3-ol

C9H21NO — CID 15889483

IUPAC6-amino-2,2-dimethylheptan-3-ol
SMILESCC(N)CCC(O)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-7(10)5-6-8(11)9(2,3)4/h7-8,11H,5-6,10H2,1-4H3
InChIKeyNCOOCZLTKUGJAT-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.52
Rot. Bonds3

About 6-amino-2,2-dimethylheptan-3-ol

6-amino-2,2-dimethylheptan-3-ol (PubChem CID 15889483) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 6-amino-2,2-dimethylheptan-3-ol.

Molecular Properties

Compound Name6-amino-2,2-dimethylheptan-3-ol
PubChem CID15889483
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name6-amino-2,2-dimethylheptan-3-ol
SMILESCC(N)CCC(O)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-7(10)5-6-8(11)9(2,3)4/h7-8,11H,5-6,10H2,1-4H3
InChIKeyNCOOCZLTKUGJAT-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2,2-dimethylheptan-3-ol?
The IUPAC name of 6-amino-2,2-dimethylheptan-3-ol (CID 15889483) is 6-amino-2,2-dimethylheptan-3-ol.
What is the SMILES notation for 6-amino-2,2-dimethylheptan-3-ol?
The canonical SMILES for 6-amino-2,2-dimethylheptan-3-ol is CC(N)CCC(O)C(C)(C)C.
What is the InChIKey of 6-amino-2,2-dimethylheptan-3-ol?
The InChIKey is NCOOCZLTKUGJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-7(10)5-6-8(11)9(2,3)4/h7-8,11H,5-6,10H2,1-4H3.
What are the key properties of 6-amino-2,2-dimethylheptan-3-ol?
6-amino-2,2-dimethylheptan-3-ol has a molecular weight of 159.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,2-dimethylheptan-3-ol is sourced from PubChem (CID 15889483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).