N-(butylideneamino)-N,4,7-trimethylnona-2,4,6-trien-3-amine

C16H28N2 — CID 123469461

IUPACN-(butylideneamino)-N,4,7-trimethylnona-2,4,6-trien-3-amine
SMILESCC=C(C(C)=CC=C(C)CC)N(C)N=CCCC
InChIInChI=1S/C16H28N2/c1-7-10-13-17-18(6)16(9-3)15(5)12-11-14(4)8-2/h9,11-13H,7-8,10H2,1-6H3
InChIKeyBXFJAIRBQROEFM-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.91
Rot. Bonds7

About N-(butylideneamino)-N,4,7-trimethylnona-2,4,6-trien-3-amine

N-(butylideneamino)-N,4,7-trimethylnona-2,4,6-trien-3-amine (PubChem CID 123469461) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-(butylideneamino)-N,4,7-trimethylnona-2,4,6-trien-3-amine.

Molecular Properties

Compound NameN-(butylideneamino)-N,4,7-trimethylnona-2,4,6-trien-3-amine
PubChem CID123469461
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-(butylideneamino)-N,4,7-trimethylnona-2,4,6-trien-3-amine
SMILESCC=C(C(C)=CC=C(C)CC)N(C)N=CCCC
InChIInChI=1S/C16H28N2/c1-7-10-13-17-18(6)16(9-3)15(5)12-11-14(4)8-2/h9,11-13H,7-8,10H2,1-6H3
InChIKeyBXFJAIRBQROEFM-UHFFFAOYSA-N
XLogP4.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E,5E)-1-(2,2-dimethylpropyl)-5-(3-fluoropropylidene)-4-(2-methylprop-2-enylidene)pyrazole
CID 146550395
(Z)-N-(4-fluoro-5-methyl-2-methylidene-1-pyridinyl)ethanimine
CID 166858571
2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-3,4-dihydropyrazole
CID 89382698
2-hepta-3,5-dien-3-yl-3H-pyridazine
CID 91480402
N,N-diethyl-2-(5-ethylidene-4-methylidenepyrazol-1-yl)ethanamine
CID 123158636
(Butylideneamino)-ethyl-methyl-(6-methylidenenona-2,4-dien-3-yl)azanium
CID 123971553
(4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole
CID 129157344
(4E,5E)-4-ethylidene-5-hexylidene-1-methylpyrazole
CID 129238614
(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazole
CID 132064861
(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)pyrazole
CID 134342605
(4E,5E)-1-propan-2-yl-4,5-bis(prop-2-enylidene)pyrazole
CID 134342636
(Z)-N-[(Z)-butylideneamino]-N-ethyl-4-methylpent-2-en-3-amine
CID 135230098

Frequently Asked Questions

What is the IUPAC name of N-(butylideneamino)-N,4,7-trimethylnona-2,4,6-trien-3-amine?
The IUPAC name of N-(butylideneamino)-N,4,7-trimethylnona-2,4,6-trien-3-amine (CID 123469461) is N-(butylideneamino)-N,4,7-trimethylnona-2,4,6-trien-3-amine.
What is the SMILES notation for N-(butylideneamino)-N,4,7-trimethylnona-2,4,6-trien-3-amine?
The canonical SMILES for N-(butylideneamino)-N,4,7-trimethylnona-2,4,6-trien-3-amine is CC=C(C(C)=CC=C(C)CC)N(C)N=CCCC.
What is the InChIKey of N-(butylideneamino)-N,4,7-trimethylnona-2,4,6-trien-3-amine?
The InChIKey is BXFJAIRBQROEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-7-10-13-17-18(6)16(9-3)15(5)12-11-14(4)8-2/h9,11-13H,7-8,10H2,1-6H3.
What are the key properties of N-(butylideneamino)-N,4,7-trimethylnona-2,4,6-trien-3-amine?
N-(butylideneamino)-N,4,7-trimethylnona-2,4,6-trien-3-amine has a molecular weight of 248.41 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylideneamino)-N,4,7-trimethylnona-2,4,6-trien-3-amine is sourced from PubChem (CID 123469461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).