N,4-dimethylhept-1-en-3-imine

C9H17N — CID 123647931

IUPACN,4-dimethylhept-1-en-3-imine
SMILESC=C/C(=N\C)C(C)CCC
InChIInChI=1S/C9H17N/c1-5-7-8(3)9(6-2)10-4/h6,8H,2,5,7H2,1,3-4H3/b10-9+
InChIKeyKFIBVOCCBAKIGG-MDZDMXLPSA-N
MW139.24 g/mol
LogP2.68
Rot. Bonds4

About N,4-dimethylhept-1-en-3-imine

N,4-dimethylhept-1-en-3-imine (PubChem CID 123647931) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N,4-dimethylhept-1-en-3-imine.

Molecular Properties

Compound NameN,4-dimethylhept-1-en-3-imine
PubChem CID123647931
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN,4-dimethylhept-1-en-3-imine
SMILESC=C/C(=N\C)C(C)CCC
InChIInChI=1S/C9H17N/c1-5-7-8(3)9(6-2)10-4/h6,8H,2,5,7H2,1,3-4H3/b10-9+
InChIKeyKFIBVOCCBAKIGG-MDZDMXLPSA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-N,5,6-trimethylhept-6-en-2-imine
CID 89033580
N,2,5-trimethyl-4-methylidenehexan-3-imine
CID 91017057
N,4,5-trimethyl-1-phosphanylhex-1-en-3-imine
CID 91385034
N,4-dimethylhex-1-en-3-imine
CID 123150138
N-hexyl-4-methylpent-1-en-3-imine
CID 123163517
N,3,3,5,5-pentamethylhept-6-en-2-imine
CID 123270736
N,3,5-trimethylnona-5,8-dien-4-imine
CID 123444373
N-hexyl-4-methylhepta-1,6-dien-3-imine
CID 123453605
3-ethyl-4-methyl-N-propan-2-ylhept-6-en-2-imine
CID 123513645
N,2,4-trimethyloct-1-en-3-imine
CID 123513691
N-ethyl-3-methylhex-5-en-2-imine
CID 123547564
N-methyl-6-propylcyclohex-2-en-1-imine
CID 123602981

Frequently Asked Questions

What is the IUPAC name of N,4-dimethylhept-1-en-3-imine?
The IUPAC name of N,4-dimethylhept-1-en-3-imine (CID 123647931) is N,4-dimethylhept-1-en-3-imine.
What is the SMILES notation for N,4-dimethylhept-1-en-3-imine?
The canonical SMILES for N,4-dimethylhept-1-en-3-imine is C=C/C(=N\C)C(C)CCC.
What is the InChIKey of N,4-dimethylhept-1-en-3-imine?
The InChIKey is KFIBVOCCBAKIGG-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H17N/c1-5-7-8(3)9(6-2)10-4/h6,8H,2,5,7H2,1,3-4H3/b10-9+.
What are the key properties of N,4-dimethylhept-1-en-3-imine?
N,4-dimethylhept-1-en-3-imine has a molecular weight of 139.24 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylhept-1-en-3-imine is sourced from PubChem (CID 123647931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).