ethane;2,2,4,4-tetramethylhexan-1-amine

C12H29N — CID 144955387

IUPACethane;2,2,4,4-tetramethylhexan-1-amine
SMILESCC.CCC(C)(C)CC(C)(C)CN
InChIInChI=1S/C10H23N.C2H6/c1-6-9(2,3)7-10(4,5)8-11;1-2/h6-8,11H2,1-5H3;1-2H3
InChIKeyWJFYHLKSTSWWFK-UHFFFAOYSA-N
MW187.37 g/mol
LogP3.82
Rot. Bonds4

About ethane;2,2,4,4-tetramethylhexan-1-amine

ethane;2,2,4,4-tetramethylhexan-1-amine (PubChem CID 144955387) has the molecular formula C12H29N and a molecular weight of 187.37 g/mol. Its IUPAC name is ethane;2,2,4,4-tetramethylhexan-1-amine.

Molecular Properties

Compound Nameethane;2,2,4,4-tetramethylhexan-1-amine
PubChem CID144955387
Molecular FormulaC12H29N
Molecular Weight187.37 g/mol
Exact Mass187.23
IUPAC Nameethane;2,2,4,4-tetramethylhexan-1-amine
SMILESCC.CCC(C)(C)CC(C)(C)CN
InChIInChI=1S/C10H23N.C2H6/c1-6-9(2,3)7-10(4,5)8-11;1-2/h6-8,11H2,1-5H3;1-2H3
InChIKeyWJFYHLKSTSWWFK-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2,2,4-trimethyl-4-N-(2,4,4,6,6-pentamethyloctan-2-yl)pentane-1,4-diamine
CID 145086421
2-(2,2-dimethylbutyl)-4,4-dimethylhexane-1,2-diamine
CID 23346633
ethane;2,4,4-trimethylhexan-2-amine
CID 143206912
3,3-dimethylpentane;ethane;methanol
CID 144527462
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
2,2-dimethylpropane-1,3-diamine
CID 162099967
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;propane
CID 90942978
2,2,4-trimethylpentane-1,4-diamine
CID 87112848
2,2-dimethylbutane;3,3-dimethylpentane
CID 160500141
2,2,4-trimethylheptane-1,4-diamine
CID 175307929

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,4,4-tetramethylhexan-1-amine?
The IUPAC name of ethane;2,2,4,4-tetramethylhexan-1-amine (CID 144955387) is ethane;2,2,4,4-tetramethylhexan-1-amine.
What is the SMILES notation for ethane;2,2,4,4-tetramethylhexan-1-amine?
The canonical SMILES for ethane;2,2,4,4-tetramethylhexan-1-amine is CC.CCC(C)(C)CC(C)(C)CN.
What is the InChIKey of ethane;2,2,4,4-tetramethylhexan-1-amine?
The InChIKey is WJFYHLKSTSWWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C2H6/c1-6-9(2,3)7-10(4,5)8-11;1-2/h6-8,11H2,1-5H3;1-2H3.
What are the key properties of ethane;2,2,4,4-tetramethylhexan-1-amine?
ethane;2,2,4,4-tetramethylhexan-1-amine has a molecular weight of 187.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,4,4-tetramethylhexan-1-amine is sourced from PubChem (CID 144955387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).