2,6-dimethylheptane;ethane;4-ethyl-3,5-dimethyloctan-2-amine;propane

C30H73N — CID 145006201

IUPAC2,6-dimethylheptane;ethane;4-ethyl-3,5-dimethyloctan-2-amine;propane
SMILESCC.CC.CC.CC(C)CCCC(C)C.CCC.CCCC(C)C(CC)C(C)C(C)N
InChIInChI=1S/C12H27N.C9H20.C3H8.3C2H6/c1-6-8-9(3)12(7-2)10(4)11(5)13;1-8(2)6-5-7-9(3)4;1-3-2;3*1-2/h9-12H,6-8,13H2,1-5H3;8-9H,5-7H2,1-4H3;3H2,1-2H3;3*1-2H3
InChIKeyBKFVHYANOVLGPG-UHFFFAOYSA-N
MW447.92 g/mol
LogP11.40
Rot. Bonds10

About 2,6-dimethylheptane;ethane;4-ethyl-3,5-dimethyloctan-2-amine;propane

2,6-dimethylheptane;ethane;4-ethyl-3,5-dimethyloctan-2-amine;propane (PubChem CID 145006201) has the molecular formula C30H73N and a molecular weight of 447.92 g/mol. Its IUPAC name is 2,6-dimethylheptane;ethane;4-ethyl-3,5-dimethyloctan-2-amine;propane.

Molecular Properties

Compound Name2,6-dimethylheptane;ethane;4-ethyl-3,5-dimethyloctan-2-amine;propane
PubChem CID145006201
Molecular FormulaC30H73N
Molecular Weight447.92 g/mol
Exact Mass447.57
IUPAC Name2,6-dimethylheptane;ethane;4-ethyl-3,5-dimethyloctan-2-amine;propane
SMILESCC.CC.CC.CC(C)CCCC(C)C.CCC.CCCC(C)C(CC)C(C)C(C)N
InChIInChI=1S/C12H27N.C9H20.C3H8.3C2H6/c1-6-8-9(3)12(7-2)10(4)11(5)13;1-8(2)6-5-7-9(3)4;1-3-2;3*1-2/h9-12H,6-8,13H2,1-5H3;8-9H,5-7H2,1-4H3;3H2,1-2H3;3*1-2H3
InChIKeyBKFVHYANOVLGPG-UHFFFAOYSA-N
XLogP11.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.92
LogP ≤ 511.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-dimethylheptane;ethane;4-ethyl-3,5-dimethyloctan-2-amine;propane 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

5-ethyl-2,3,4,6-tetramethylnonane
CID 90811278
ethane;2-methylhexane;propane
CID 144516512
3-ethyl-2,4-dimethylpentane;methane;2-methylpentane
CID 158735959
2,9,10-trimethyltridecane
CID 123263779
ethane;2-methylpentane;pentane;propane
CID 142044971
bis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane)
CID 160533172
(3R,4R,5R)-4,5-dimethyloctan-3-amine
CID 151288694
2-methylhexane;propane
CID 143695748
ethane;2-methylpentane
CID 143713716
ethane;methane;2-methylheptane;propane
CID 143683767
2,3-dimethylhexane;2,5-dimethylhexane;2-methylbutane;2-methylheptane;2-methylhexane;2-methyloctane;2-methylpentane
CID 161353303
2,34-dimethylpentatriacontan-18-amine
CID 141007495

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylheptane;ethane;4-ethyl-3,5-dimethyloctan-2-amine;propane?
The IUPAC name of 2,6-dimethylheptane;ethane;4-ethyl-3,5-dimethyloctan-2-amine;propane (CID 145006201) is 2,6-dimethylheptane;ethane;4-ethyl-3,5-dimethyloctan-2-amine;propane.
What is the SMILES notation for 2,6-dimethylheptane;ethane;4-ethyl-3,5-dimethyloctan-2-amine;propane?
The canonical SMILES for 2,6-dimethylheptane;ethane;4-ethyl-3,5-dimethyloctan-2-amine;propane is CC.CC.CC.CC(C)CCCC(C)C.CCC.CCCC(C)C(CC)C(C)C(C)N.
What is the InChIKey of 2,6-dimethylheptane;ethane;4-ethyl-3,5-dimethyloctan-2-amine;propane?
The InChIKey is BKFVHYANOVLGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C9H20.C3H8.3C2H6/c1-6-8-9(3)12(7-2)10(4)11(5)13;1-8(2)6-5-7-9(3)4;1-3-2;3*1-2/h9-12H,6-8,13H2,1-5H3;8-9H,5-7H2,1-4H3;3H2,1-2H3;3*1-2H3.
What are the key properties of 2,6-dimethylheptane;ethane;4-ethyl-3,5-dimethyloctan-2-amine;propane?
2,6-dimethylheptane;ethane;4-ethyl-3,5-dimethyloctan-2-amine;propane has a molecular weight of 447.92 g/mol, XLogP of 11.40, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylheptane;ethane;4-ethyl-3,5-dimethyloctan-2-amine;propane is sourced from PubChem (CID 145006201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).