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

Analyze 3,6-dimethylheptan-3-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6,9-trimethylundecan-6-amine
CID 90972549
1-methoxy-2,5-dimethylhexan-2-amine
CID 62619989
2-methylbutan-2-amine;3-methylbutan-1-amine
CID 159699136
3-ethyl-2,3,6-trimethylheptane
CID 53428909
2,5,5,6-tetramethyloctane
CID 53424276
1-(4-aminobutan-2-yloxy)-3-methylpentan-3-amine
CID 89078030
CID 164983427
CID 164983427
ethane;1,1,1-trifluoro-4-methylpentane
CID 142517870
2-methyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylpentane-1,2-diamine
CID 79491872
5-ethyl-2,8-dimethyl-5-propan-2-ylnonane
CID 123397627
2-(3-methylbutoxy)butan-2-amine
CID 176953255
3-methyloctadecan-3-amine
CID 54058172

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).