(6E,8S)-6-ethylidene-4,8-dimethyl-2-methylimino-4-prop-1-en-2-yldecan-1-amine

C18H34N2 — CID 174113941

IUPAC(6E,8S)-6-ethylidene-4,8-dimethyl-2-methylimino-4-prop-1-en-2-yldecan-1-amine
SMILESC=C(C)C(C)(C/C(CN)=N/C)C/C(=C/C)C[C@@H](C)CC
InChIInChI=1S/C18H34N2/c1-8-15(5)10-16(9-2)11-18(6,14(3)4)12-17(13-19)20-7/h9,15H,3,8,10-13,19H2,1-2,4-7H3/b16-9+,20-17-/t15-,18?/m0/s1
InChIKeyGGNTWTVFMZCAKZ-MIXLCVGLSA-N
MW278.48 g/mol
LogP4.76
Rot. Bonds9

About (6E,8S)-6-ethylidene-4,8-dimethyl-2-methylimino-4-prop-1-en-2-yldecan-1-amine

(6E,8S)-6-ethylidene-4,8-dimethyl-2-methylimino-4-prop-1-en-2-yldecan-1-amine (PubChem CID 174113941) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is (6E,8S)-6-ethylidene-4,8-dimethyl-2-methylimino-4-prop-1-en-2-yldecan-1-amine.

Molecular Properties

Compound Name(6E,8S)-6-ethylidene-4,8-dimethyl-2-methylimino-4-prop-1-en-2-yldecan-1-amine
PubChem CID174113941
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name(6E,8S)-6-ethylidene-4,8-dimethyl-2-methylimino-4-prop-1-en-2-yldecan-1-amine
SMILESC=C(C)C(C)(C/C(CN)=N/C)C/C(=C/C)C[C@@H](C)CC
InChIInChI=1S/C18H34N2/c1-8-15(5)10-16(9-2)11-18(6,14(3)4)12-17(13-19)20-7/h9,15H,3,8,10-13,19H2,1-2,4-7H3/b16-9+,20-17-/t15-,18?/m0/s1
InChIKeyGGNTWTVFMZCAKZ-MIXLCVGLSA-N
XLogP4.76
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E,8S)-6-ethylidene-4,8-dimethyl-2-methylimino-4-prop-1-en-2-yldecan-1-amine?
The IUPAC name of (6E,8S)-6-ethylidene-4,8-dimethyl-2-methylimino-4-prop-1-en-2-yldecan-1-amine (CID 174113941) is (6E,8S)-6-ethylidene-4,8-dimethyl-2-methylimino-4-prop-1-en-2-yldecan-1-amine.
What is the SMILES notation for (6E,8S)-6-ethylidene-4,8-dimethyl-2-methylimino-4-prop-1-en-2-yldecan-1-amine?
The canonical SMILES for (6E,8S)-6-ethylidene-4,8-dimethyl-2-methylimino-4-prop-1-en-2-yldecan-1-amine is C=C(C)C(C)(C/C(CN)=N/C)C/C(=C/C)C[C@@H](C)CC.
What is the InChIKey of (6E,8S)-6-ethylidene-4,8-dimethyl-2-methylimino-4-prop-1-en-2-yldecan-1-amine?
The InChIKey is GGNTWTVFMZCAKZ-MIXLCVGLSA-N. The full InChI is InChI=1S/C18H34N2/c1-8-15(5)10-16(9-2)11-18(6,14(3)4)12-17(13-19)20-7/h9,15H,3,8,10-13,19H2,1-2,4-7H3/b16-9+,20-17-/t15-,18?/m0/s1.
What are the key properties of (6E,8S)-6-ethylidene-4,8-dimethyl-2-methylimino-4-prop-1-en-2-yldecan-1-amine?
(6E,8S)-6-ethylidene-4,8-dimethyl-2-methylimino-4-prop-1-en-2-yldecan-1-amine has a molecular weight of 278.48 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8S)-6-ethylidene-4,8-dimethyl-2-methylimino-4-prop-1-en-2-yldecan-1-amine is sourced from PubChem (CID 174113941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).