(E)-6-ethyl-N,7-dimethyloct-1-en-1-amine

C12H25N — CID 170364927

IUPAC(E)-6-ethyl-N,7-dimethyloct-1-en-1-amine
SMILESCCC(CCC/C=C/NC)C(C)C
InChIInChI=1S/C12H25N/c1-5-12(11(2)3)9-7-6-8-10-13-4/h8,10-13H,5-7,9H2,1-4H3/b10-8+
InChIKeyXKHSQMYWGBMINZ-CSKARUKUSA-N
MW183.34 g/mol
LogP3.57
Rot. Bonds7

About (E)-6-ethyl-N,7-dimethyloct-1-en-1-amine

(E)-6-ethyl-N,7-dimethyloct-1-en-1-amine (PubChem CID 170364927) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (E)-6-ethyl-N,7-dimethyloct-1-en-1-amine.

Molecular Properties

Compound Name(E)-6-ethyl-N,7-dimethyloct-1-en-1-amine
PubChem CID170364927
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(E)-6-ethyl-N,7-dimethyloct-1-en-1-amine
SMILESCCC(CCC/C=C/NC)C(C)C
InChIInChI=1S/C12H25N/c1-5-12(11(2)3)9-7-6-8-10-13-4/h8,10-13H,5-7,9H2,1-4H3/b10-8+
InChIKeyXKHSQMYWGBMINZ-CSKARUKUSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.57
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

(Z)-7-(methylamino)hept-6-ene-2-thiol
CID 134275161
8-methylnon-3-ene
CID 54424784
7-ethyl-N,8-dimethylnonan-2-amine
CID 91399919
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427
4-ethyl-1-iodo-5-methylhexane
CID 118326959
2,11-dimethyltridec-6-ene
CID 123657363
4-ethyl-5-methylhexan-1-ol
CID 87192920
3-ethyl-2-methyl-7-propan-2-yldecane
CID 58999360
(E)-2,12-dimethyltridec-6-ene
CID 176630963
5-ethyl-6-methylheptan-1-ol
CID 91402591
(3R)-3-ethyl-2-methylhexane
CID 59954424
(E)-2-ethyl-6-(methylamino)hex-5-enoic acid
CID 173483010

Frequently Asked Questions

What is the IUPAC name of (E)-6-ethyl-N,7-dimethyloct-1-en-1-amine?
The IUPAC name of (E)-6-ethyl-N,7-dimethyloct-1-en-1-amine (CID 170364927) is (E)-6-ethyl-N,7-dimethyloct-1-en-1-amine.
What is the SMILES notation for (E)-6-ethyl-N,7-dimethyloct-1-en-1-amine?
The canonical SMILES for (E)-6-ethyl-N,7-dimethyloct-1-en-1-amine is CCC(CCC/C=C/NC)C(C)C.
What is the InChIKey of (E)-6-ethyl-N,7-dimethyloct-1-en-1-amine?
The InChIKey is XKHSQMYWGBMINZ-CSKARUKUSA-N. The full InChI is InChI=1S/C12H25N/c1-5-12(11(2)3)9-7-6-8-10-13-4/h8,10-13H,5-7,9H2,1-4H3/b10-8+.
What are the key properties of (E)-6-ethyl-N,7-dimethyloct-1-en-1-amine?
(E)-6-ethyl-N,7-dimethyloct-1-en-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-ethyl-N,7-dimethyloct-1-en-1-amine is sourced from PubChem (CID 170364927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).