N-[1-(2,2-dimethylbut-3-enylideneamino)-2-methylbuta-1,3-dienyl]-N-methylhexan-1-amine

C18H32N2 — CID 123947044

IUPACN-[1-(2,2-dimethylbut-3-enylideneamino)-2-methylbuta-1,3-dienyl]-N-methylhexan-1-amine
SMILESC=CC(C)=C(N=CC(C)(C)C=C)N(C)CCCCCC
InChIInChI=1S/C18H32N2/c1-8-11-12-13-14-20(7)17(16(4)9-2)19-15-18(5,6)10-3/h9-10,15H,2-3,8,11-14H2,1,4-7H3
InChIKeyIDGPAJMOYCTWGI-UHFFFAOYSA-N
MW276.47 g/mol
LogP5.20
Rot. Bonds10

About N-[1-(2,2-dimethylbut-3-enylideneamino)-2-methylbuta-1,3-dienyl]-N-methylhexan-1-amine

N-[1-(2,2-dimethylbut-3-enylideneamino)-2-methylbuta-1,3-dienyl]-N-methylhexan-1-amine (PubChem CID 123947044) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-[1-(2,2-dimethylbut-3-enylideneamino)-2-methylbuta-1,3-dienyl]-N-methylhexan-1-amine.

Molecular Properties

Compound NameN-[1-(2,2-dimethylbut-3-enylideneamino)-2-methylbuta-1,3-dienyl]-N-methylhexan-1-amine
PubChem CID123947044
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-[1-(2,2-dimethylbut-3-enylideneamino)-2-methylbuta-1,3-dienyl]-N-methylhexan-1-amine
SMILESC=CC(C)=C(N=CC(C)(C)C=C)N(C)CCCCCC
InChIInChI=1S/C18H32N2/c1-8-11-12-13-14-20(7)17(16(4)9-2)19-15-18(5,6)10-3/h9-10,15H,2-3,8,11-14H2,1,4-7H3
InChIKeyIDGPAJMOYCTWGI-UHFFFAOYSA-N
XLogP5.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-decyl-N-methylacetamide
CID 22114742
ethane;N-methyl-N-octylacetamide
CID 142531459
N,2-dimethyl-N-tetracosylprop-2-enamide
CID 87262023
2-tert-butyl-1-methyl-1-pentylguanidine
CID 62359388
N,N-dimethyldodecan-1-amine;hypobromous acid
CID 175692920
N-hexyl-N-methylprop-2-enamide;2-methylnon-2-enamide
CID 158002582
hexadecyl(methyl)carbamic acid
CID 15173799
N-but-3-enyl-N,7-dimethyltetradecan-7-amine
CID 167034642
N-methyl-N-nonadecylhydroxylamine
CID 87390757
2-cyano-1-dodecyl-1-methylguanidine
CID 86121345
ethenol;heptadecane
CID 158851930
N-ethenyl-N-heptyl-N'-methylmethanimidamide
CID 144548032

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylbut-3-enylideneamino)-2-methylbuta-1,3-dienyl]-N-methylhexan-1-amine?
The IUPAC name of N-[1-(2,2-dimethylbut-3-enylideneamino)-2-methylbuta-1,3-dienyl]-N-methylhexan-1-amine (CID 123947044) is N-[1-(2,2-dimethylbut-3-enylideneamino)-2-methylbuta-1,3-dienyl]-N-methylhexan-1-amine.
What is the SMILES notation for N-[1-(2,2-dimethylbut-3-enylideneamino)-2-methylbuta-1,3-dienyl]-N-methylhexan-1-amine?
The canonical SMILES for N-[1-(2,2-dimethylbut-3-enylideneamino)-2-methylbuta-1,3-dienyl]-N-methylhexan-1-amine is C=CC(C)=C(N=CC(C)(C)C=C)N(C)CCCCCC.
What is the InChIKey of N-[1-(2,2-dimethylbut-3-enylideneamino)-2-methylbuta-1,3-dienyl]-N-methylhexan-1-amine?
The InChIKey is IDGPAJMOYCTWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-8-11-12-13-14-20(7)17(16(4)9-2)19-15-18(5,6)10-3/h9-10,15H,2-3,8,11-14H2,1,4-7H3.
What are the key properties of N-[1-(2,2-dimethylbut-3-enylideneamino)-2-methylbuta-1,3-dienyl]-N-methylhexan-1-amine?
N-[1-(2,2-dimethylbut-3-enylideneamino)-2-methylbuta-1,3-dienyl]-N-methylhexan-1-amine has a molecular weight of 276.47 g/mol, XLogP of 5.20, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylbut-3-enylideneamino)-2-methylbuta-1,3-dienyl]-N-methylhexan-1-amine is sourced from PubChem (CID 123947044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).