3,6-dimethylheptan-3-amine;ethane

C11H27N — CID 156844908

IUPAC3,6-dimethylheptan-3-amine;ethane
SMILESCC.CCC(C)(N)CCC(C)C
InChIInChI=1S/C9H21N.C2H6/c1-5-9(4,10)7-6-8(2)3;1-2/h8H,5-7,10H2,1-4H3;1-2H3
InChIKeyFBRQWRUTGWZKBG-UHFFFAOYSA-N
MW173.34 g/mol
LogP3.58
Rot. Bonds4

About 3,6-dimethylheptan-3-amine;ethane

3,6-dimethylheptan-3-amine;ethane (PubChem CID 156844908) has the molecular formula C11H27N and a molecular weight of 173.34 g/mol. Its IUPAC name is 3,6-dimethylheptan-3-amine;ethane.

Molecular Properties

Compound Name3,6-dimethylheptan-3-amine;ethane
PubChem CID156844908
Molecular FormulaC11H27N
Molecular Weight173.34 g/mol
Exact Mass173.21
IUPAC Name3,6-dimethylheptan-3-amine;ethane
SMILESCC.CCC(C)(N)CCC(C)C
InChIInChI=1S/C9H21N.C2H6/c1-5-9(4,10)7-6-8(2)3;1-2/h8H,5-7,10H2,1-4H3;1-2H3
InChIKeyFBRQWRUTGWZKBG-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylheptan-3-amine;ethane?
The IUPAC name of 3,6-dimethylheptan-3-amine;ethane (CID 156844908) is 3,6-dimethylheptan-3-amine;ethane.
What is the SMILES notation for 3,6-dimethylheptan-3-amine;ethane?
The canonical SMILES for 3,6-dimethylheptan-3-amine;ethane is CC.CCC(C)(N)CCC(C)C.
What is the InChIKey of 3,6-dimethylheptan-3-amine;ethane?
The InChIKey is FBRQWRUTGWZKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C2H6/c1-5-9(4,10)7-6-8(2)3;1-2/h8H,5-7,10H2,1-4H3;1-2H3.
What are the key properties of 3,6-dimethylheptan-3-amine;ethane?
3,6-dimethylheptan-3-amine;ethane has a molecular weight of 173.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylheptan-3-amine;ethane is sourced from PubChem (CID 156844908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).