8-ethyl-8-methyl-7-methylidene-N-propyldec-1-en-2-amine

C17H33N — CID 166923772

IUPAC8-ethyl-8-methyl-7-methylidene-N-propyldec-1-en-2-amine
SMILESC=C(CCCCC(=C)C(C)(CC)CC)NCCC
InChIInChI=1S/C17H33N/c1-7-14-18-16(5)13-11-10-12-15(4)17(6,8-2)9-3/h18H,4-5,7-14H2,1-3,6H3
InChIKeyBDWQGMZTODCZIL-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.44
Rot. Bonds11

About 8-ethyl-8-methyl-7-methylidene-N-propyldec-1-en-2-amine

8-ethyl-8-methyl-7-methylidene-N-propyldec-1-en-2-amine (PubChem CID 166923772) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 8-ethyl-8-methyl-7-methylidene-N-propyldec-1-en-2-amine.

Molecular Properties

Compound Name8-ethyl-8-methyl-7-methylidene-N-propyldec-1-en-2-amine
PubChem CID166923772
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name8-ethyl-8-methyl-7-methylidene-N-propyldec-1-en-2-amine
SMILESC=C(CCCCC(=C)C(C)(CC)CC)NCCC
InChIInChI=1S/C17H33N/c1-7-14-18-16(5)13-11-10-12-15(4)17(6,8-2)9-3/h18H,4-5,7-14H2,1-3,6H3
InChIKeyBDWQGMZTODCZIL-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butylhept-1-en-2-amine
CID 170620308
N-hexyloct-1-en-2-amine
CID 169110016
N-(4-methylidenehexyl)hept-1-en-2-amine
CID 167138556
(6Z,7Z)-6-prop-2-enylidene-N-propyldeca-1,7,9-trien-2-amine
CID 167457631
4-ethyl-4-methyl-3-methylidene-1-propoxyhexane
CID 123390908
N-pent-4-enylnonadec-1-en-2-amine
CID 129262643
N'-pent-1-en-2-yl-N-propylhexane-1,6-diamine
CID 134334707
N-tert-butylhept-1-en-2-amine
CID 143357741
N-hept-1-en-2-yl-6-methylheptan-1-amine
CID 155148528
14-methyl-N-(4-methylpentyl)pentadec-1-en-2-amine
CID 170250998
N-(4,4-dimethylpent-1-en-2-yl)heptan-1-amine
CID 134483816
2-methyl-3-methylidenehenicosan-2-amine
CID 118467610

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-8-methyl-7-methylidene-N-propyldec-1-en-2-amine?
The IUPAC name of 8-ethyl-8-methyl-7-methylidene-N-propyldec-1-en-2-amine (CID 166923772) is 8-ethyl-8-methyl-7-methylidene-N-propyldec-1-en-2-amine.
What is the SMILES notation for 8-ethyl-8-methyl-7-methylidene-N-propyldec-1-en-2-amine?
The canonical SMILES for 8-ethyl-8-methyl-7-methylidene-N-propyldec-1-en-2-amine is C=C(CCCCC(=C)C(C)(CC)CC)NCCC.
What is the InChIKey of 8-ethyl-8-methyl-7-methylidene-N-propyldec-1-en-2-amine?
The InChIKey is BDWQGMZTODCZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-7-14-18-16(5)13-11-10-12-15(4)17(6,8-2)9-3/h18H,4-5,7-14H2,1-3,6H3.
What are the key properties of 8-ethyl-8-methyl-7-methylidene-N-propyldec-1-en-2-amine?
8-ethyl-8-methyl-7-methylidene-N-propyldec-1-en-2-amine has a molecular weight of 251.46 g/mol, XLogP of 5.44, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-8-methyl-7-methylidene-N-propyldec-1-en-2-amine is sourced from PubChem (CID 166923772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).