N-[(2Z)-6-methylhepta-2,6-dien-2-yl]propan-2-imine

C11H19N — CID 134365006

IUPACN-[(2Z)-6-methylhepta-2,6-dien-2-yl]propan-2-imine
SMILESC=C(C)CC/C=C(/C)N=C(C)C
InChIInChI=1S/C11H19N/c1-9(2)7-6-8-11(5)12-10(3)4/h8H,1,6-7H2,2-5H3/b11-8-
InChIKeyFSHMADURORDIQC-FLIBITNWSA-N
MW165.28 g/mol
LogP3.73
Rot. Bonds4

About N-[(2Z)-6-methylhepta-2,6-dien-2-yl]propan-2-imine

N-[(2Z)-6-methylhepta-2,6-dien-2-yl]propan-2-imine (PubChem CID 134365006) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(2Z)-6-methylhepta-2,6-dien-2-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(2Z)-6-methylhepta-2,6-dien-2-yl]propan-2-imine
PubChem CID134365006
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(2Z)-6-methylhepta-2,6-dien-2-yl]propan-2-imine
SMILESC=C(C)CC/C=C(/C)N=C(C)C
InChIInChI=1S/C11H19N/c1-9(2)7-6-8-11(5)12-10(3)4/h8H,1,6-7H2,2-5H3/b11-8-
InChIKeyFSHMADURORDIQC-FLIBITNWSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2Z)-6-methylhepta-2,6-dien-2-yl]propan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-2,6,7,7-tetramethylocta-1,5-diene
CID 144537468
2,6-dimethylocta-1,5-diene
CID 54025904
ethane;(5E)-2-methylhepta-1,5-diene
CID 143084582
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
(4E)-4,8-dimethylnona-4,8-dien-3-one
CID 20501743
3-ethyl-7-methylocta-3,7-dien-2-one
CID 54536933
(3E)-3,7-dimethylocta-3,7-dienenitrile
CID 6441547
(2E,5E)-3-ethyl-5,9-dimethyldeca-2,5,9-trien-4-one
CID 10878320
(2E)-6-methylhepta-2,6-dien-1-ol
CID 11105375
ethane;2-methylhexa-1,5-diene;molecular hydrogen
CID 144513072
(2Z)-6-methylhepta-2,6-dien-1-ol
CID 11217260
N-[(2Z,4E)-5,9-dimethyldeca-2,4,8-trien-3-yl]propan-2-imine
CID 142177247

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-6-methylhepta-2,6-dien-2-yl]propan-2-imine?
The IUPAC name of N-[(2Z)-6-methylhepta-2,6-dien-2-yl]propan-2-imine (CID 134365006) is N-[(2Z)-6-methylhepta-2,6-dien-2-yl]propan-2-imine.
What is the SMILES notation for N-[(2Z)-6-methylhepta-2,6-dien-2-yl]propan-2-imine?
The canonical SMILES for N-[(2Z)-6-methylhepta-2,6-dien-2-yl]propan-2-imine is C=C(C)CC/C=C(/C)N=C(C)C.
What is the InChIKey of N-[(2Z)-6-methylhepta-2,6-dien-2-yl]propan-2-imine?
The InChIKey is FSHMADURORDIQC-FLIBITNWSA-N. The full InChI is InChI=1S/C11H19N/c1-9(2)7-6-8-11(5)12-10(3)4/h8H,1,6-7H2,2-5H3/b11-8-.
What are the key properties of N-[(2Z)-6-methylhepta-2,6-dien-2-yl]propan-2-imine?
N-[(2Z)-6-methylhepta-2,6-dien-2-yl]propan-2-imine has a molecular weight of 165.28 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-6-methylhepta-2,6-dien-2-yl]propan-2-imine is sourced from PubChem (CID 134365006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).