3,9,10,13-tetramethyl-6-methylidene-8-(5,5,6-trimethylheptan-2-yl)pentadeca-2,13-dien-7-imine

C30H55N — CID 123216111

IUPAC3,9,10,13-tetramethyl-6-methylidene-8-(5,5,6-trimethylheptan-2-yl)pentadeca-2,13-dien-7-imine
SMILES[H]/N=C(\C(=C)CCC(C)=CC)C(C(C)CCC(C)(C)C(C)C)C(C)C(C)CCC(C)=CC
InChIInChI=1S/C30H55N/c1-13-22(5)15-17-24(7)27(10)28(25(8)19-20-30(11,12)21(3)4)29(31)26(9)18-16-23(6)14-2/h13-14,21,24-25,27-28,31H,9,15-20H2,1-8,10-12H3/b22-13?,23-14?,31-29+
InChIKeyZQDUSYXQQXQXCW-FALGKCEOSA-N
MW429.78 g/mol
LogP10.04
Rot. Bonds15

About 3,9,10,13-tetramethyl-6-methylidene-8-(5,5,6-trimethylheptan-2-yl)pentadeca-2,13-dien-7-imine

3,9,10,13-tetramethyl-6-methylidene-8-(5,5,6-trimethylheptan-2-yl)pentadeca-2,13-dien-7-imine (PubChem CID 123216111) has the molecular formula C30H55N and a molecular weight of 429.78 g/mol. Its IUPAC name is 3,9,10,13-tetramethyl-6-methylidene-8-(5,5,6-trimethylheptan-2-yl)pentadeca-2,13-dien-7-imine.

Molecular Properties

Compound Name3,9,10,13-tetramethyl-6-methylidene-8-(5,5,6-trimethylheptan-2-yl)pentadeca-2,13-dien-7-imine
PubChem CID123216111
Molecular FormulaC30H55N
Molecular Weight429.78 g/mol
Exact Mass429.43
IUPAC Name3,9,10,13-tetramethyl-6-methylidene-8-(5,5,6-trimethylheptan-2-yl)pentadeca-2,13-dien-7-imine
SMILES[H]/N=C(\C(=C)CCC(C)=CC)C(C(C)CCC(C)(C)C(C)C)C(C)C(C)CCC(C)=CC
InChIInChI=1S/C30H55N/c1-13-22(5)15-17-24(7)27(10)28(25(8)19-20-30(11,12)21(3)4)29(31)26(9)18-16-23(6)14-2/h13-14,21,24-25,27-28,31H,9,15-20H2,1-8,10-12H3/b22-13?,23-14?,31-29+
InChIKeyZQDUSYXQQXQXCW-FALGKCEOSA-N
XLogP10.04
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.78
LogP ≤ 510.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,9,10,13-tetramethyl-6-methylidene-8-(5,5,6-trimethylheptan-2-yl)pentadeca-2,13-dien-7-imine with MolForge

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Launch Full Analysis

Related Compounds

3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
(E)-12,12-difluoro-2,7-dimethyl-9-propa-1,2-dienyl-9-propan-2-yltridec-6-en-4-imine
CID 123491631
19,21-Dimethyl-19,21-bis(2-methylpropyl)nonatriaconta-9,30-dien-20-imine
CID 54130774
2-Cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 58555275
3-[(E)-but-2-en-2-yl]-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587061
3-(Cyclohexen-1-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587129
4a,5-Dimethyl-3-(3-methylbut-2-en-2-yl)-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587135
4a,5-Dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587147
(4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine
CID 87279105
(4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 87279106
(9Z,30Z)-19,21-dimethyl-19,21-bis(2-methylpropyl)nonatriaconta-9,30-dien-20-imine
CID 88658812
2,3-Bis(5-methylhexan-2-yl)cyclohexa-2,5-diene-1,4-diimine
CID 89287511

Frequently Asked Questions

What is the IUPAC name of 3,9,10,13-tetramethyl-6-methylidene-8-(5,5,6-trimethylheptan-2-yl)pentadeca-2,13-dien-7-imine?
The IUPAC name of 3,9,10,13-tetramethyl-6-methylidene-8-(5,5,6-trimethylheptan-2-yl)pentadeca-2,13-dien-7-imine (CID 123216111) is 3,9,10,13-tetramethyl-6-methylidene-8-(5,5,6-trimethylheptan-2-yl)pentadeca-2,13-dien-7-imine.
What is the SMILES notation for 3,9,10,13-tetramethyl-6-methylidene-8-(5,5,6-trimethylheptan-2-yl)pentadeca-2,13-dien-7-imine?
The canonical SMILES for 3,9,10,13-tetramethyl-6-methylidene-8-(5,5,6-trimethylheptan-2-yl)pentadeca-2,13-dien-7-imine is [H]/N=C(\C(=C)CCC(C)=CC)C(C(C)CCC(C)(C)C(C)C)C(C)C(C)CCC(C)=CC.
What is the InChIKey of 3,9,10,13-tetramethyl-6-methylidene-8-(5,5,6-trimethylheptan-2-yl)pentadeca-2,13-dien-7-imine?
The InChIKey is ZQDUSYXQQXQXCW-FALGKCEOSA-N. The full InChI is InChI=1S/C30H55N/c1-13-22(5)15-17-24(7)27(10)28(25(8)19-20-30(11,12)21(3)4)29(31)26(9)18-16-23(6)14-2/h13-14,21,24-25,27-28,31H,9,15-20H2,1-8,10-12H3/b22-13?,23-14?,31-29+.
What are the key properties of 3,9,10,13-tetramethyl-6-methylidene-8-(5,5,6-trimethylheptan-2-yl)pentadeca-2,13-dien-7-imine?
3,9,10,13-tetramethyl-6-methylidene-8-(5,5,6-trimethylheptan-2-yl)pentadeca-2,13-dien-7-imine has a molecular weight of 429.78 g/mol, XLogP of 10.04, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9,10,13-tetramethyl-6-methylidene-8-(5,5,6-trimethylheptan-2-yl)pentadeca-2,13-dien-7-imine is sourced from PubChem (CID 123216111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).