5-methyl-5-propyldodeca-7,9-dien-2-imine

C16H29N — CID 123199203

IUPAC5-methyl-5-propyldodeca-7,9-dien-2-imine
SMILES[H]/N=C(\C)CCC(C)(CC=CC=CCC)CCC
InChIInChI=1S/C16H29N/c1-5-7-8-9-10-13-16(4,12-6-2)14-11-15(3)17/h7-10,17H,5-6,11-14H2,1-4H3/b8-7?,10-9?,17-15+
InChIKeyMBOWAYUPYWWMQC-JECLXZRTSA-N
MW235.41 g/mol
LogP5.53
Rot. Bonds9

About 5-methyl-5-propyldodeca-7,9-dien-2-imine

5-methyl-5-propyldodeca-7,9-dien-2-imine (PubChem CID 123199203) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 5-methyl-5-propyldodeca-7,9-dien-2-imine.

Molecular Properties

Compound Name5-methyl-5-propyldodeca-7,9-dien-2-imine
PubChem CID123199203
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name5-methyl-5-propyldodeca-7,9-dien-2-imine
SMILES[H]/N=C(\C)CCC(C)(CC=CC=CCC)CCC
InChIInChI=1S/C16H29N/c1-5-7-8-9-10-13-16(4,12-6-2)14-11-15(3)17/h7-10,17H,5-6,11-14H2,1-4H3/b8-7?,10-9?,17-15+
InChIKeyMBOWAYUPYWWMQC-JECLXZRTSA-N
XLogP5.53
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.41
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

19,21-Dimethyl-19,21-bis(2-methylpropyl)nonatriaconta-9,30-dien-20-imine
CID 54130774
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CID 58555275
(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
(E)-7-ethenyl-4-methyl-8-propyldodec-6-en-3-imine
CID 89196812
(4E)-5-ethyl-7,9,13,16-tetramethyl-8-methylideneheptadeca-4,11,13-trien-2-imine
CID 90720795
2-Cyclohexa-1,5-dien-1-yl-6,6-dimethylcyclohept-2-ene-1,4-diimine
CID 90793702
(3Z)-4,6,8,8-tetramethylnona-1,3-dien-5-imine
CID 90880737
3,7-Dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,7-trien-5-imine
CID 91041769
6-Methyl-6-(4-methylpenta-1,2-dien-3-yl)-3-propan-2-ylcyclohepta-2,4-dien-1-imine
CID 91130436
CID 91251463
CID 91251463

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-propyldodeca-7,9-dien-2-imine?
The IUPAC name of 5-methyl-5-propyldodeca-7,9-dien-2-imine (CID 123199203) is 5-methyl-5-propyldodeca-7,9-dien-2-imine.
What is the SMILES notation for 5-methyl-5-propyldodeca-7,9-dien-2-imine?
The canonical SMILES for 5-methyl-5-propyldodeca-7,9-dien-2-imine is [H]/N=C(\C)CCC(C)(CC=CC=CCC)CCC.
What is the InChIKey of 5-methyl-5-propyldodeca-7,9-dien-2-imine?
The InChIKey is MBOWAYUPYWWMQC-JECLXZRTSA-N. The full InChI is InChI=1S/C16H29N/c1-5-7-8-9-10-13-16(4,12-6-2)14-11-15(3)17/h7-10,17H,5-6,11-14H2,1-4H3/b8-7?,10-9?,17-15+.
What are the key properties of 5-methyl-5-propyldodeca-7,9-dien-2-imine?
5-methyl-5-propyldodeca-7,9-dien-2-imine has a molecular weight of 235.41 g/mol, XLogP of 5.53, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-propyldodeca-7,9-dien-2-imine is sourced from PubChem (CID 123199203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).