2,5-dimethylhept-1-en-3-imine

C9H17N — CID 91222633

IUPAC2,5-dimethylhept-1-en-3-imine
SMILES[H]/N=C(/CC(C)CC)C(=C)C
InChIInChI=1S/C9H17N/c1-5-8(4)6-9(10)7(2)3/h8,10H,2,5-6H2,1,3-4H3/b10-9-
InChIKeyIHUJFCIZSUJWAU-KTKRTIGZSA-N
MW139.24 g/mol
LogP3.02
Rot. Bonds4

About 2,5-dimethylhept-1-en-3-imine

2,5-dimethylhept-1-en-3-imine (PubChem CID 91222633) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2,5-dimethylhept-1-en-3-imine.

Molecular Properties

Compound Name2,5-dimethylhept-1-en-3-imine
PubChem CID91222633
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2,5-dimethylhept-1-en-3-imine
SMILES[H]/N=C(/CC(C)CC)C(=C)C
InChIInChI=1S/C9H17N/c1-5-8(4)6-9(10)7(2)3/h8,10H,2,5-6H2,1,3-4H3/b10-9-
InChIKeyIHUJFCIZSUJWAU-KTKRTIGZSA-N
XLogP3.02
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(10S)-10-fluoro-2-methyl-5-methylideneundecane-3,6-diimine
CID 155158155
10-Fluoro-2-methyl-4-methylideneundecane-3,6-diimine
CID 155158434
(3R,5S)-5-fluoro-6-(fluoromethyl)-3,7-dimethyloct-7-en-4-imine
CID 173772004
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
3-ethyl-N,5,6-trimethylhept-6-en-2-imine
CID 89033580
(E)-5-ethyl-6-methylundec-6-en-4-imine
CID 89117109
(Z)-4,5-dimethylhept-5-en-2-imine
CID 89961034
3-(2-Methylprop-2-enyl)-4-propyloctan-2-imine
CID 90894242
(Z)-5-ethyl-3-methyloct-3-en-2-imine
CID 91076242
2,4-Dimethylpent-1-en-3-imine
CID 91148130
3,5-Dimethyl-2-methylidenecyclopentan-1-imine
CID 91175528
(E)-2,6-dimethyl-4-propan-2-ylhept-4-en-3-imine
CID 118346045

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylhept-1-en-3-imine?
The IUPAC name of 2,5-dimethylhept-1-en-3-imine (CID 91222633) is 2,5-dimethylhept-1-en-3-imine.
What is the SMILES notation for 2,5-dimethylhept-1-en-3-imine?
The canonical SMILES for 2,5-dimethylhept-1-en-3-imine is [H]/N=C(/CC(C)CC)C(=C)C.
What is the InChIKey of 2,5-dimethylhept-1-en-3-imine?
The InChIKey is IHUJFCIZSUJWAU-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H17N/c1-5-8(4)6-9(10)7(2)3/h8,10H,2,5-6H2,1,3-4H3/b10-9-.
What are the key properties of 2,5-dimethylhept-1-en-3-imine?
2,5-dimethylhept-1-en-3-imine has a molecular weight of 139.24 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhept-1-en-3-imine is sourced from PubChem (CID 91222633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).