ethane;prop-1-ene;N,3,7,7-tetramethyloctan-4-amine

C17H39N — CID 142059377

IUPACethane;prop-1-ene;N,3,7,7-tetramethyloctan-4-amine
SMILESC=CC.CC.CCC(C)C(CCC(C)(C)C)NC
InChIInChI=1S/C12H27N.C3H6.C2H6/c1-7-10(2)11(13-6)8-9-12(3,4)5;1-3-2;1-2/h10-11,13H,7-9H2,1-6H3;3H,1H2,2H3;1-2H3
InChIKeyANEYONSHVKIJOC-UHFFFAOYSA-N
MW257.51 g/mol
LogP5.67
Rot. Bonds5

About ethane;prop-1-ene;N,3,7,7-tetramethyloctan-4-amine

ethane;prop-1-ene;N,3,7,7-tetramethyloctan-4-amine (PubChem CID 142059377) has the molecular formula C17H39N and a molecular weight of 257.51 g/mol. Its IUPAC name is ethane;prop-1-ene;N,3,7,7-tetramethyloctan-4-amine.

Molecular Properties

Compound Nameethane;prop-1-ene;N,3,7,7-tetramethyloctan-4-amine
PubChem CID142059377
Molecular FormulaC17H39N
Molecular Weight257.51 g/mol
Exact Mass257.31
IUPAC Nameethane;prop-1-ene;N,3,7,7-tetramethyloctan-4-amine
SMILESC=CC.CC.CCC(C)C(CCC(C)(C)C)NC
InChIInChI=1S/C12H27N.C3H6.C2H6/c1-7-10(2)11(13-6)8-9-12(3,4)5;1-3-2;1-2/h10-11,13H,7-9H2,1-6H3;3H,1H2,2H3;1-2H3
InChIKeyANEYONSHVKIJOC-UHFFFAOYSA-N
XLogP5.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.51
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethylhexan-3-amine
CID 63559808
2-methoxy-N,6,6-trimethylheptan-3-amine
CID 79616446
ethane;2-methylbutane;N-methylpropan-2-amine;prop-1-ene
CID 156818429
1,1-difluoro-N,5,5-trimethylhexan-2-amine
CID 103516587
3-methoxy-N,2,2,7,7-pentamethyloctan-4-amine
CID 116724435
N,4-dimethyl-1-methylsulfanylhexan-3-amine
CID 105170590
2,3-dimethylpentane;ethane;2-methylpropane;prop-1-ene
CID 143365587
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 159070558
(5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 169306082
(4R,5R,6R)-5-ethyl-N,6-dimethyloct-1-en-4-amine
CID 138636088
2,2-dimethylhexane;tris(prop-1-ene)
CID 160899116
N,4,8-trimethylnonan-3-amine
CID 83158813

Frequently Asked Questions

What is the IUPAC name of ethane;prop-1-ene;N,3,7,7-tetramethyloctan-4-amine?
The IUPAC name of ethane;prop-1-ene;N,3,7,7-tetramethyloctan-4-amine (CID 142059377) is ethane;prop-1-ene;N,3,7,7-tetramethyloctan-4-amine.
What is the SMILES notation for ethane;prop-1-ene;N,3,7,7-tetramethyloctan-4-amine?
The canonical SMILES for ethane;prop-1-ene;N,3,7,7-tetramethyloctan-4-amine is C=CC.CC.CCC(C)C(CCC(C)(C)C)NC.
What is the InChIKey of ethane;prop-1-ene;N,3,7,7-tetramethyloctan-4-amine?
The InChIKey is ANEYONSHVKIJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C3H6.C2H6/c1-7-10(2)11(13-6)8-9-12(3,4)5;1-3-2;1-2/h10-11,13H,7-9H2,1-6H3;3H,1H2,2H3;1-2H3.
What are the key properties of ethane;prop-1-ene;N,3,7,7-tetramethyloctan-4-amine?
ethane;prop-1-ene;N,3,7,7-tetramethyloctan-4-amine has a molecular weight of 257.51 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;prop-1-ene;N,3,7,7-tetramethyloctan-4-amine is sourced from PubChem (CID 142059377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).