ethane;2,2,7-trimethyloctan-1-amine

C13H31N — CID 142541342

IUPACethane;2,2,7-trimethyloctan-1-amine
SMILESCC.CC(C)CCCCC(C)(C)CN
InChIInChI=1S/C11H25N.C2H6/c1-10(2)7-5-6-8-11(3,4)9-12;1-2/h10H,5-9,12H2,1-4H3;1-2H3
InChIKeyLSJNXDWAUMNQQY-UHFFFAOYSA-N
MW201.40 g/mol
LogP4.21
Rot. Bonds6

About ethane;2,2,7-trimethyloctan-1-amine

ethane;2,2,7-trimethyloctan-1-amine (PubChem CID 142541342) has the molecular formula C13H31N and a molecular weight of 201.40 g/mol. Its IUPAC name is ethane;2,2,7-trimethyloctan-1-amine.

Molecular Properties

Compound Nameethane;2,2,7-trimethyloctan-1-amine
PubChem CID142541342
Molecular FormulaC13H31N
Molecular Weight201.40 g/mol
Exact Mass201.25
IUPAC Nameethane;2,2,7-trimethyloctan-1-amine
SMILESCC.CC(C)CCCCC(C)(C)CN
InChIInChI=1S/C11H25N.C2H6/c1-10(2)7-5-6-8-11(3,4)9-12;1-2/h10H,5-9,12H2,1-4H3;1-2H3
InChIKeyLSJNXDWAUMNQQY-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(6-amino-5,5-dimethylhexyl)-methylamino]propan-2-ol
CID 106708066
2,2-dimethyloctan-1-amine
CID 62739423
2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine
CID 79627176
N'-cyclopropyl-2,2-dimethyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 79005112
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
N-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide
CID 115271093
7,7,14-trimethylpentadecanoic acid
CID 91490028
N'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 65247053
2,2-dimethylpropane;ethane;2-methylheptane
CID 143493212
6-methoxy-2,2-dimethylhexan-1-amine
CID 104649285
2,2,7,13-tetramethyltetradecane
CID 164934007
2,7-dimethyloctan-2-yl(methyl)azanide
CID 163864920

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,7-trimethyloctan-1-amine?
The IUPAC name of ethane;2,2,7-trimethyloctan-1-amine (CID 142541342) is ethane;2,2,7-trimethyloctan-1-amine.
What is the SMILES notation for ethane;2,2,7-trimethyloctan-1-amine?
The canonical SMILES for ethane;2,2,7-trimethyloctan-1-amine is CC.CC(C)CCCCC(C)(C)CN.
What is the InChIKey of ethane;2,2,7-trimethyloctan-1-amine?
The InChIKey is LSJNXDWAUMNQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N.C2H6/c1-10(2)7-5-6-8-11(3,4)9-12;1-2/h10H,5-9,12H2,1-4H3;1-2H3.
What are the key properties of ethane;2,2,7-trimethyloctan-1-amine?
ethane;2,2,7-trimethyloctan-1-amine has a molecular weight of 201.40 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,7-trimethyloctan-1-amine is sourced from PubChem (CID 142541342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).