N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N-methylmethanamine

C12H24N2 — CID 15367094

IUPACN-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N-methylmethanamine
SMILESCC(C)=CCC[C@@H](C)C/C=N/N(C)C
InChIInChI=1S/C12H24N2/c1-11(2)7-6-8-12(3)9-10-13-14(4)5/h7,10,12H,6,8-9H2,1-5H3/b13-10+/t12-/m1/s1
InChIKeyJGGSPBQWKCFAMR-GMCKNXKJSA-N
MW196.34 g/mol
LogP3.31
Rot. Bonds6

About N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N-methylmethanamine

N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N-methylmethanamine (PubChem CID 15367094) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N-methylmethanamine
PubChem CID15367094
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N-methylmethanamine
SMILESCC(C)=CCC[C@@H](C)C/C=N/N(C)C
InChIInChI=1S/C12H24N2/c1-11(2)7-6-8-12(3)9-10-13-14(4)5/h7,10,12H,6,8-9H2,1-5H3/b13-10+/t12-/m1/s1
InChIKeyJGGSPBQWKCFAMR-GMCKNXKJSA-N
XLogP3.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N-methylmethanamine 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 N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N-methylmethanamine (CID 15367094) is N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N-methylmethanamine is CC(C)=CCC[C@@H](C)C/C=N/N(C)C.
What is the InChIKey of N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N-methylmethanamine?
The InChIKey is JGGSPBQWKCFAMR-GMCKNXKJSA-N. The full InChI is InChI=1S/C12H24N2/c1-11(2)7-6-8-12(3)9-10-13-14(4)5/h7,10,12H,6,8-9H2,1-5H3/b13-10+/t12-/m1/s1.
What are the key properties of N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N-methylmethanamine?
N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N-methylmethanamine has a molecular weight of 196.34 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 15367094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).