N,3,4-trimethyldeca-5,7,9-trien-3-amine

C13H23N — CID 173011609

IUPACN,3,4-trimethyldeca-5,7,9-trien-3-amine
SMILESC=CC=CC=CC(C)C(C)(CC)NC
InChIInChI=1S/C13H23N/c1-6-8-9-10-11-12(3)13(4,7-2)14-5/h6,8-12,14H,1,7H2,2-5H3
InChIKeyKPFSVWXSDBHIFU-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.31
Rot. Bonds6

About N,3,4-trimethyldeca-5,7,9-trien-3-amine

N,3,4-trimethyldeca-5,7,9-trien-3-amine (PubChem CID 173011609) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N,3,4-trimethyldeca-5,7,9-trien-3-amine.

Molecular Properties

Compound NameN,3,4-trimethyldeca-5,7,9-trien-3-amine
PubChem CID173011609
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN,3,4-trimethyldeca-5,7,9-trien-3-amine
SMILESC=CC=CC=CC(C)C(C)(CC)NC
InChIInChI=1S/C13H23N/c1-6-8-9-10-11-12(3)13(4,7-2)14-5/h6,8-12,14H,1,7H2,2-5H3
InChIKeyKPFSVWXSDBHIFU-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,3,4-trimethyldeca-5,7,9-trien-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

octa-3,5,7-triene-2-thiol
CID 141140060
(4E,6E)-nona-4,6,8-triene-2,3-diol
CID 15336475
ethane;(3Z)-hexa-1,3,5-triene;propane
CID 142062128
N,3,5-trimethylhept-6-en-3-amine
CID 89228225
(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303
2,3-dimethyl-2-(methylamino)butan-1-ol
CID 62488626
N,3-dimethylpent-1-en-3-amine
CID 123650218
4-ethyl-3,4-dimethylhex-1-ene
CID 19044878
(3Z)-hexa-1,3,5-triene;propane;prop-1-ene
CID 142406925
(3Z,5Z)-10-methylundeca-1,3,5-triene
CID 172592862
N-methyldeca-1,3,5,7,9-pentaen-1-amine
CID 59952276
deca-1,3,5,7-tetraene
CID 54238998

Frequently Asked Questions

What is the IUPAC name of N,3,4-trimethyldeca-5,7,9-trien-3-amine?
The IUPAC name of N,3,4-trimethyldeca-5,7,9-trien-3-amine (CID 173011609) is N,3,4-trimethyldeca-5,7,9-trien-3-amine.
What is the SMILES notation for N,3,4-trimethyldeca-5,7,9-trien-3-amine?
The canonical SMILES for N,3,4-trimethyldeca-5,7,9-trien-3-amine is C=CC=CC=CC(C)C(C)(CC)NC.
What is the InChIKey of N,3,4-trimethyldeca-5,7,9-trien-3-amine?
The InChIKey is KPFSVWXSDBHIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-6-8-9-10-11-12(3)13(4,7-2)14-5/h6,8-12,14H,1,7H2,2-5H3.
What are the key properties of N,3,4-trimethyldeca-5,7,9-trien-3-amine?
N,3,4-trimethyldeca-5,7,9-trien-3-amine has a molecular weight of 193.33 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4-trimethyldeca-5,7,9-trien-3-amine is sourced from PubChem (CID 173011609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).