(5S)-5,6-dimethyl-2-methylidenehept-6-en-1-imine

C10H17N — CID 126592941

IUPAC(5S)-5,6-dimethyl-2-methylidenehept-6-en-1-imine
SMILES[H]/N=C/C(=C)CC[C@H](C)C(=C)C
InChIInChI=1S/C10H17N/c1-8(2)10(4)6-5-9(3)7-11/h7,10-11H,1,3,5-6H2,2,4H3/b11-7+/t10-/m0/s1
InChIKeyJMMBLDNNXAGHHF-VUBLIPMDSA-N
MW151.25 g/mol
LogP3.18
Rot. Bonds5

About (5S)-5,6-dimethyl-2-methylidenehept-6-en-1-imine

(5S)-5,6-dimethyl-2-methylidenehept-6-en-1-imine (PubChem CID 126592941) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (5S)-5,6-dimethyl-2-methylidenehept-6-en-1-imine.

Molecular Properties

Compound Name(5S)-5,6-dimethyl-2-methylidenehept-6-en-1-imine
PubChem CID126592941
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(5S)-5,6-dimethyl-2-methylidenehept-6-en-1-imine
SMILES[H]/N=C/C(=C)CC[C@H](C)C(=C)C
InChIInChI=1S/C10H17N/c1-8(2)10(4)6-5-9(3)7-11/h7,10-11H,1,3,5-6H2,2,4H3/b11-7+/t10-/m0/s1
InChIKeyJMMBLDNNXAGHHF-VUBLIPMDSA-N
XLogP3.18
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5S)-5,6-dimethyl-2-methylidenehept-6-en-1-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5,6-dimethyl-2-methylidenehept-6-en-1-imine?
The IUPAC name of (5S)-5,6-dimethyl-2-methylidenehept-6-en-1-imine (CID 126592941) is (5S)-5,6-dimethyl-2-methylidenehept-6-en-1-imine.
What is the SMILES notation for (5S)-5,6-dimethyl-2-methylidenehept-6-en-1-imine?
The canonical SMILES for (5S)-5,6-dimethyl-2-methylidenehept-6-en-1-imine is [H]/N=C/C(=C)CC[C@H](C)C(=C)C.
What is the InChIKey of (5S)-5,6-dimethyl-2-methylidenehept-6-en-1-imine?
The InChIKey is JMMBLDNNXAGHHF-VUBLIPMDSA-N. The full InChI is InChI=1S/C10H17N/c1-8(2)10(4)6-5-9(3)7-11/h7,10-11H,1,3,5-6H2,2,4H3/b11-7+/t10-/m0/s1.
What are the key properties of (5S)-5,6-dimethyl-2-methylidenehept-6-en-1-imine?
(5S)-5,6-dimethyl-2-methylidenehept-6-en-1-imine has a molecular weight of 151.25 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5,6-dimethyl-2-methylidenehept-6-en-1-imine is sourced from PubChem (CID 126592941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).