N-tert-butyl-1-iminobutan-2-amine;ethane;(2E,4E,6Z,8E)-5-methoxydeca-2,4,6,8-tetraene

C23H46N2O — CID 142054922

IUPACN-tert-butyl-1-iminobutan-2-amine;ethane;(2E,4E,6Z,8E)-5-methoxydeca-2,4,6,8-tetraene
SMILESC/C=C/C=C\C(=C/C=C/C)OC.CC.CC.[H]/N=C/C(CC)NC(C)(C)C
InChIInChI=1S/C11H16O.C8H18N2.2C2H6/c1-4-6-8-10-11(12-3)9-7-5-2;1-5-7(6-9)10-8(2,3)4;2*1-2/h4-10H,1-3H3;6-7,9-10H,5H2,1-4H3;2*1-2H3/b6-4+,7-5+,10-8-,11-9+;9-6+;;
InChIKeyPVPPLCCWCYHRDQ-CPHLESEBSA-N
MW366.63 g/mol
LogP7.08
Rot. Bonds7

About N-tert-butyl-1-iminobutan-2-amine;ethane;(2E,4E,6Z,8E)-5-methoxydeca-2,4,6,8-tetraene

N-tert-butyl-1-iminobutan-2-amine;ethane;(2E,4E,6Z,8E)-5-methoxydeca-2,4,6,8-tetraene (PubChem CID 142054922) has the molecular formula C23H46N2O and a molecular weight of 366.63 g/mol. Its IUPAC name is N-tert-butyl-1-iminobutan-2-amine;ethane;(2E,4E,6Z,8E)-5-methoxydeca-2,4,6,8-tetraene.

Molecular Properties

Compound NameN-tert-butyl-1-iminobutan-2-amine;ethane;(2E,4E,6Z,8E)-5-methoxydeca-2,4,6,8-tetraene
PubChem CID142054922
Molecular FormulaC23H46N2O
Molecular Weight366.63 g/mol
Exact Mass366.36
IUPAC NameN-tert-butyl-1-iminobutan-2-amine;ethane;(2E,4E,6Z,8E)-5-methoxydeca-2,4,6,8-tetraene
SMILESC/C=C/C=C\C(=C/C=C/C)OC.CC.CC.[H]/N=C/C(CC)NC(C)(C)C
InChIInChI=1S/C11H16O.C8H18N2.2C2H6/c1-4-6-8-10-11(12-3)9-7-5-2;1-5-7(6-9)10-8(2,3)4;2*1-2/h4-10H,1-3H3;6-7,9-10H,5H2,1-4H3;2*1-2H3/b6-4+,7-5+,10-8-,11-9+;9-6+;;
InChIKeyPVPPLCCWCYHRDQ-CPHLESEBSA-N
XLogP7.08
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4E,6E)-5,7-dimethoxynona-2,4,6-triene
CID 143436311
(1Z,3Z,5Z)-1,2-dimethoxyhepta-1,3,5-triene
CID 143288252
ethane;(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene
CID 143462640
methyl (2S)-2-methanimidoylbutanoate
CID 174333241
N-(1-hydroxy-2-methylbutan-2-yl)hexa-2,4-dienamide
CID 77046922
N-butan-2-ylhexa-2,4-dienamide
CID 76545623
(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene
CID 143462641
(2E,4E,8Z,10E,12E)-N-(2-hydroxypropan-2-yl)tetradeca-2,4,8,10,12-pentaenamide
CID 5318129
methyl 2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-hydroxypropanoate
CID 43407051
(2S,3S)-2-(hexa-2,4-dienoylamino)-3-methylpentanoic acid
CID 61132393
2-ethyl-2-(hexa-2,4-dienoylamino)butanoic acid
CID 79806258
2-[[(2E)-hexa-2,4-dienoyl]amino]-3-methoxy-2-methylpropanoic acid
CID 103925883

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-iminobutan-2-amine;ethane;(2E,4E,6Z,8E)-5-methoxydeca-2,4,6,8-tetraene?
The IUPAC name of N-tert-butyl-1-iminobutan-2-amine;ethane;(2E,4E,6Z,8E)-5-methoxydeca-2,4,6,8-tetraene (CID 142054922) is N-tert-butyl-1-iminobutan-2-amine;ethane;(2E,4E,6Z,8E)-5-methoxydeca-2,4,6,8-tetraene.
What is the SMILES notation for N-tert-butyl-1-iminobutan-2-amine;ethane;(2E,4E,6Z,8E)-5-methoxydeca-2,4,6,8-tetraene?
The canonical SMILES for N-tert-butyl-1-iminobutan-2-amine;ethane;(2E,4E,6Z,8E)-5-methoxydeca-2,4,6,8-tetraene is C/C=C/C=C\C(=C/C=C/C)OC.CC.CC.[H]/N=C/C(CC)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-1-iminobutan-2-amine;ethane;(2E,4E,6Z,8E)-5-methoxydeca-2,4,6,8-tetraene?
The InChIKey is PVPPLCCWCYHRDQ-CPHLESEBSA-N. The full InChI is InChI=1S/C11H16O.C8H18N2.2C2H6/c1-4-6-8-10-11(12-3)9-7-5-2;1-5-7(6-9)10-8(2,3)4;2*1-2/h4-10H,1-3H3;6-7,9-10H,5H2,1-4H3;2*1-2H3/b6-4+,7-5+,10-8-,11-9+;9-6+;;.
What are the key properties of N-tert-butyl-1-iminobutan-2-amine;ethane;(2E,4E,6Z,8E)-5-methoxydeca-2,4,6,8-tetraene?
N-tert-butyl-1-iminobutan-2-amine;ethane;(2E,4E,6Z,8E)-5-methoxydeca-2,4,6,8-tetraene has a molecular weight of 366.63 g/mol, XLogP of 7.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-iminobutan-2-amine;ethane;(2E,4E,6Z,8E)-5-methoxydeca-2,4,6,8-tetraene is sourced from PubChem (CID 142054922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).