N-[(3S)-3,7-dimethyloct-6-enyl]-N',N'-dimethylpropane-1,3-diamine

C15H32N2 — CID 2298843

IUPACN-[(3S)-3,7-dimethyloct-6-enyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCC(C)=CCC[C@H](C)CCNCCCN(C)C
InChIInChI=1S/C15H32N2/c1-14(2)8-6-9-15(3)10-12-16-11-7-13-17(4)5/h8,15-16H,6-7,9-13H2,1-5H3/t15-/m0/s1
InChIKeyFWIVRDOYMAXCAR-HNNXBMFYSA-N
MW240.43 g/mol
LogP3.30
Rot. Bonds10

About N-[(3S)-3,7-dimethyloct-6-enyl]-N',N'-dimethylpropane-1,3-diamine

N-[(3S)-3,7-dimethyloct-6-enyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 2298843) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-[(3S)-3,7-dimethyloct-6-enyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(3S)-3,7-dimethyloct-6-enyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID2298843
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-[(3S)-3,7-dimethyloct-6-enyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCC(C)=CCC[C@H](C)CCNCCCN(C)C
InChIInChI=1S/C15H32N2/c1-14(2)8-6-9-15(3)10-12-16-11-7-13-17(4)5/h8,15-16H,6-7,9-13H2,1-5H3/t15-/m0/s1
InChIKeyFWIVRDOYMAXCAR-HNNXBMFYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3S)-3,7-dimethyloct-6-enyl]-N',N'-dimethylpropane-1,3-diamine 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-[(3S)-3,7-dimethyloct-6-enyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[(3S)-3,7-dimethyloct-6-enyl]-N',N'-dimethylpropane-1,3-diamine (CID 2298843) is N-[(3S)-3,7-dimethyloct-6-enyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[(3S)-3,7-dimethyloct-6-enyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[(3S)-3,7-dimethyloct-6-enyl]-N',N'-dimethylpropane-1,3-diamine is CC(C)=CCC[C@H](C)CCNCCCN(C)C.
What is the InChIKey of N-[(3S)-3,7-dimethyloct-6-enyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is FWIVRDOYMAXCAR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H32N2/c1-14(2)8-6-9-15(3)10-12-16-11-7-13-17(4)5/h8,15-16H,6-7,9-13H2,1-5H3/t15-/m0/s1.
What are the key properties of N-[(3S)-3,7-dimethyloct-6-enyl]-N',N'-dimethylpropane-1,3-diamine?
N-[(3S)-3,7-dimethyloct-6-enyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.30, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3,7-dimethyloct-6-enyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 2298843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).