ethane;2,4,4-trimethylhexan-2-amine

C11H27N — CID 143206912

IUPACethane;2,4,4-trimethylhexan-2-amine
SMILESCC.CCC(C)(C)CC(C)(C)N
InChIInChI=1S/C9H21N.C2H6/c1-6-8(2,3)7-9(4,5)10;1-2/h6-7,10H2,1-5H3;1-2H3
InChIKeyQPMRTPBBXJBOOB-UHFFFAOYSA-N
MW173.34 g/mol
LogP3.58
Rot. Bonds3

About ethane;2,4,4-trimethylhexan-2-amine

ethane;2,4,4-trimethylhexan-2-amine (PubChem CID 143206912) has the molecular formula C11H27N and a molecular weight of 173.34 g/mol. Its IUPAC name is ethane;2,4,4-trimethylhexan-2-amine.

Molecular Properties

Compound Nameethane;2,4,4-trimethylhexan-2-amine
PubChem CID143206912
Molecular FormulaC11H27N
Molecular Weight173.34 g/mol
Exact Mass173.21
IUPAC Nameethane;2,4,4-trimethylhexan-2-amine
SMILESCC.CCC(C)(C)CC(C)(C)N
InChIInChI=1S/C9H21N.C2H6/c1-6-8(2,3)7-9(4,5)10;1-2/h6-7,10H2,1-5H3;1-2H3
InChIKeyQPMRTPBBXJBOOB-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

2,4-dimethyl-4-(2,4,4-trimethylhexan-2-yldisulfanyl)pentan-2-amine
CID 171508665
ethane;2,2,4,4-tetramethylhexan-1-amine
CID 144955387
3,3-dimethylpentane;ethane;methanol
CID 144527462
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
3,3-dimethylpentane;propane
CID 90942978
2,2,4-trimethylpentane-1,4-diamine
CID 87112848
2-(2,2-dimethylbutyl)-4,4-dimethylhexane-1,2-diamine
CID 23346633
2,4,4,6,6,8,8,10,10-nonamethyltridecan-2-amine
CID 90836053
2,2-dimethylbutane;3,3-dimethylpentane
CID 160500141
2-methylbutan-2-amine;propane
CID 91035545

Frequently Asked Questions

What is the IUPAC name of ethane;2,4,4-trimethylhexan-2-amine?
The IUPAC name of ethane;2,4,4-trimethylhexan-2-amine (CID 143206912) is ethane;2,4,4-trimethylhexan-2-amine.
What is the SMILES notation for ethane;2,4,4-trimethylhexan-2-amine?
The canonical SMILES for ethane;2,4,4-trimethylhexan-2-amine is CC.CCC(C)(C)CC(C)(C)N.
What is the InChIKey of ethane;2,4,4-trimethylhexan-2-amine?
The InChIKey is QPMRTPBBXJBOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C2H6/c1-6-8(2,3)7-9(4,5)10;1-2/h6-7,10H2,1-5H3;1-2H3.
What are the key properties of ethane;2,4,4-trimethylhexan-2-amine?
ethane;2,4,4-trimethylhexan-2-amine has a molecular weight of 173.34 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,4,4-trimethylhexan-2-amine is sourced from PubChem (CID 143206912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).