(2R,4E,6E)-3-ethyl-1-N,1-N,2,4-tetramethylnona-4,6,8-triene-1,6-diamine

C15H28N2 — CID 130181922

IUPAC(2R,4E,6E)-3-ethyl-1-N,1-N,2,4-tetramethylnona-4,6,8-triene-1,6-diamine
SMILESC=C/C=C(N)\C=C(/C)C(CC)[C@@H](C)CN(C)C
InChIInChI=1S/C15H28N2/c1-7-9-14(16)10-12(3)15(8-2)13(4)11-17(5)6/h7,9-10,13,15H,1,8,11,16H2,2-6H3/b12-10+,14-9+/t13-,15?/m0/s1
InChIKeyZAQSUCIBJNWXLI-DTLVQUCBSA-N
MW236.40 g/mol
LogP3.19
Rot. Bonds7

About (2R,4E,6E)-3-ethyl-1-N,1-N,2,4-tetramethylnona-4,6,8-triene-1,6-diamine

(2R,4E,6E)-3-ethyl-1-N,1-N,2,4-tetramethylnona-4,6,8-triene-1,6-diamine (PubChem CID 130181922) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (2R,4E,6E)-3-ethyl-1-N,1-N,2,4-tetramethylnona-4,6,8-triene-1,6-diamine.

Molecular Properties

Compound Name(2R,4E,6E)-3-ethyl-1-N,1-N,2,4-tetramethylnona-4,6,8-triene-1,6-diamine
PubChem CID130181922
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name(2R,4E,6E)-3-ethyl-1-N,1-N,2,4-tetramethylnona-4,6,8-triene-1,6-diamine
SMILESC=C/C=C(N)\C=C(/C)C(CC)[C@@H](C)CN(C)C
InChIInChI=1S/C15H28N2/c1-7-9-14(16)10-12(3)15(8-2)13(4)11-17(5)6/h7,9-10,13,15H,1,8,11,16H2,2-6H3/b12-10+,14-9+/t13-,15?/m0/s1
InChIKeyZAQSUCIBJNWXLI-DTLVQUCBSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,4E,6E)-3-ethyl-1-N,1-N,2,4-tetramethylnona-4,6,8-triene-1,6-diamine 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

N-fluoro-5-(1-methylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-amine
CID 134365781
4-[3-(Dimethylamino)propyl]-3-fluorocyclohexa-1,5-diene-1,4-diamine
CID 143818286
(5E)-1-N-ethyl-5-fluoro-1-N,3-dimethyl-4-methylideneocta-5,7-diene-1,7-diamine
CID 145549510
4-Fluoro-4-(1-methylpiperidin-4-yl)cyclohexa-1,5-dien-1-amine
CID 152035661
4-[4-(Dimethylamino)butan-2-yl]-3-fluorocyclohexa-1,3-dien-1-amine
CID 144296115
4-[(3-Methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
CID 58111049
2-[(Dimethylamino)methyl]-4,5,6,6-tetramethylcyclohexa-1,3-dien-1-amine
CID 68427819
N,N-dimethyl-2-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine
CID 70593183
(3E,5Z)-2-(1,3,5-trimethyl-4H-pyridin-4-yl)hepta-1,3,5-trien-3-amine
CID 88557703
5-hex-5-en-3-yl-N,N-dimethyl-6-methylidenecyclohexa-1,3-dien-1-amine
CID 89258527
(3Z,4S)-N-butyl-3-ethylidene-4-methylhex-1-en-2-amine
CID 89372754
5-Methyl-4-(methylaminomethyl)cyclohexa-1,3-dien-1-amine
CID 89395028

Frequently Asked Questions

What is the IUPAC name of (2R,4E,6E)-3-ethyl-1-N,1-N,2,4-tetramethylnona-4,6,8-triene-1,6-diamine?
The IUPAC name of (2R,4E,6E)-3-ethyl-1-N,1-N,2,4-tetramethylnona-4,6,8-triene-1,6-diamine (CID 130181922) is (2R,4E,6E)-3-ethyl-1-N,1-N,2,4-tetramethylnona-4,6,8-triene-1,6-diamine.
What is the SMILES notation for (2R,4E,6E)-3-ethyl-1-N,1-N,2,4-tetramethylnona-4,6,8-triene-1,6-diamine?
The canonical SMILES for (2R,4E,6E)-3-ethyl-1-N,1-N,2,4-tetramethylnona-4,6,8-triene-1,6-diamine is C=C/C=C(N)\C=C(/C)C(CC)[C@@H](C)CN(C)C.
What is the InChIKey of (2R,4E,6E)-3-ethyl-1-N,1-N,2,4-tetramethylnona-4,6,8-triene-1,6-diamine?
The InChIKey is ZAQSUCIBJNWXLI-DTLVQUCBSA-N. The full InChI is InChI=1S/C15H28N2/c1-7-9-14(16)10-12(3)15(8-2)13(4)11-17(5)6/h7,9-10,13,15H,1,8,11,16H2,2-6H3/b12-10+,14-9+/t13-,15?/m0/s1.
What are the key properties of (2R,4E,6E)-3-ethyl-1-N,1-N,2,4-tetramethylnona-4,6,8-triene-1,6-diamine?
(2R,4E,6E)-3-ethyl-1-N,1-N,2,4-tetramethylnona-4,6,8-triene-1,6-diamine has a molecular weight of 236.40 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4E,6E)-3-ethyl-1-N,1-N,2,4-tetramethylnona-4,6,8-triene-1,6-diamine is sourced from PubChem (CID 130181922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).