N,3-dimethylhepta-3,6-dien-2-imine

C9H15N — CID 123241993

IUPACN,3-dimethylhepta-3,6-dien-2-imine
SMILESC=CCC=C(C)/C(C)=N/C
InChIInChI=1S/C9H15N/c1-5-6-7-8(2)9(3)10-4/h5,7H,1,6H2,2-4H3/b8-7?,10-9+
InChIKeyGKHCCWABXNNGHT-IPBYNONMSA-N
MW137.23 g/mol
LogP2.60
Rot. Bonds3

About N,3-dimethylhepta-3,6-dien-2-imine

N,3-dimethylhepta-3,6-dien-2-imine (PubChem CID 123241993) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N,3-dimethylhepta-3,6-dien-2-imine.

Molecular Properties

Compound NameN,3-dimethylhepta-3,6-dien-2-imine
PubChem CID123241993
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN,3-dimethylhepta-3,6-dien-2-imine
SMILESC=CCC=C(C)/C(C)=N/C
InChIInChI=1S/C9H15N/c1-5-6-7-8(2)9(3)10-4/h5,7H,1,6H2,2-4H3/b8-7?,10-9+
InChIKeyGKHCCWABXNNGHT-IPBYNONMSA-N
XLogP2.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.60
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'}

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Related Compounds

Dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 18457916
1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 123199800
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
(E)-N-methyl-4-(trifluoromethyl)hex-3-en-2-imine
CID 123923109
(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
(3Z)-1,1,1-trifluoro-N,6-dimethylhepta-3,6-dien-2-imine
CID 142448631
(Z)-2-fluoro-N,2-dimethylhex-4-en-3-imine
CID 143810300
(4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine
CID 143981182
(Z)-1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 147963737
(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
CID 163590444
(4E)-2-fluoro-N,2,5-trimethylnona-4,8-dien-3-imine
CID 169851903

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylhepta-3,6-dien-2-imine?
The IUPAC name of N,3-dimethylhepta-3,6-dien-2-imine (CID 123241993) is N,3-dimethylhepta-3,6-dien-2-imine.
What is the SMILES notation for N,3-dimethylhepta-3,6-dien-2-imine?
The canonical SMILES for N,3-dimethylhepta-3,6-dien-2-imine is C=CCC=C(C)/C(C)=N/C.
What is the InChIKey of N,3-dimethylhepta-3,6-dien-2-imine?
The InChIKey is GKHCCWABXNNGHT-IPBYNONMSA-N. The full InChI is InChI=1S/C9H15N/c1-5-6-7-8(2)9(3)10-4/h5,7H,1,6H2,2-4H3/b8-7?,10-9+.
What are the key properties of N,3-dimethylhepta-3,6-dien-2-imine?
N,3-dimethylhepta-3,6-dien-2-imine has a molecular weight of 137.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylhepta-3,6-dien-2-imine is sourced from PubChem (CID 123241993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).