2,6-dimethylheptan-3-amine

C9H21N — CID 43370541

IUPAC2,6-dimethylheptan-3-amine
SMILESCC(C)CCC(N)C(C)C
InChIInChI=1S/C9H21N/c1-7(2)5-6-9(10)8(3)4/h7-9H,5-6,10H2,1-4H3
InChIKeyYYZBMFPELSRAKX-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.41
Rot. Bonds4

About 2,6-dimethylheptan-3-amine

2,6-dimethylheptan-3-amine (PubChem CID 43370541) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is 2,6-dimethylheptan-3-amine.

Molecular Properties

Compound Name2,6-dimethylheptan-3-amine
PubChem CID43370541
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name2,6-dimethylheptan-3-amine
SMILESCC(C)CCC(N)C(C)C
InChIInChI=1S/C9H21N/c1-7(2)5-6-9(10)8(3)4/h7-9H,5-6,10H2,1-4H3
InChIKeyYYZBMFPELSRAKX-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylheptan-3-amine?
The IUPAC name of 2,6-dimethylheptan-3-amine (CID 43370541) is 2,6-dimethylheptan-3-amine.
What is the SMILES notation for 2,6-dimethylheptan-3-amine?
The canonical SMILES for 2,6-dimethylheptan-3-amine is CC(C)CCC(N)C(C)C.
What is the InChIKey of 2,6-dimethylheptan-3-amine?
The InChIKey is YYZBMFPELSRAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-7(2)5-6-9(10)8(3)4/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 2,6-dimethylheptan-3-amine?
2,6-dimethylheptan-3-amine has a molecular weight of 143.27 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylheptan-3-amine is sourced from PubChem (CID 43370541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).