N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide;ethane

C17H35N3 — CID 155696643

IUPACN-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide;ethane
SMILESC=C(/C=C(\C)N/C(C)=N/C)CCCCCN(C)C.CC
InChIInChI=1S/C15H29N3.C2H6/c1-13(10-8-7-9-11-18(5)6)12-14(2)17-15(3)16-4;1-2/h12H,1,7-11H2,2-6H3,(H,16,17);1-2H3/b14-12+;
InChIKeyMVBVJIZXEYPCIO-UNGNXWFZSA-N
MW281.49 g/mol
LogP4.23
Rot. Bonds8

About N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide;ethane

N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide;ethane (PubChem CID 155696643) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide;ethane.

Molecular Properties

Compound NameN-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide;ethane
PubChem CID155696643
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide;ethane
SMILESC=C(/C=C(\C)N/C(C)=N/C)CCCCCN(C)C.CC
InChIInChI=1S/C15H29N3.C2H6/c1-13(10-8-7-9-11-18(5)6)12-14(2)17-15(3)16-4;1-2/h12H,1,7-11H2,2-6H3,(H,16,17);1-2H3/b14-12+;
InChIKeyMVBVJIZXEYPCIO-UNGNXWFZSA-N
XLogP4.23
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
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': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E)-N'-(3-cyclohexa-1,3-dien-1-ylbut-3-enyl)-4-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)hexa-2,5-dienimidamide
CID 90813969
N-[(3Z)-3-(aminomethyl)penta-1,3-dien-2-yl]-N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]pentanimidamide
CID 123483519
2-methyl-8-methylidene-7-nona-3,6,8-trienyl-4-propyl-4,5-dihydro-1H-1,3-diazocine
CID 123682734
(E)-6-amino-3-methyl-N'-[(3Z)-6-methylhepta-1,3,6-trien-2-yl]-N-(2-propan-2-ylhexa-2,4-dienyl)-N-propylhex-2-enimidamide
CID 123824883
(3S,4E,6Z)-3-(but-1-en-2-ylamino)-N-[(3Z,7Z)-deca-3,7-dien-2-yl]-N',4-dimethylnona-4,6-dienimidamide
CID 134270356
N-[(Z)-1-(cyclopenten-1-yl)prop-1-enyl]-N'-methylethanimidamide
CID 134424189
N-[(E)-but-2-en-2-yl]-N'-ethyl-2-[2-(ethylamino)ethyl]-3-methylbut-2-enimidamide;(2Z,4E)-4,5-diethylocta-2,4-diene
CID 145481642
(Z)-N-but-1-en-2-yl-N'-[(4-ethylcyclopenta-1,3-dien-1-yl)methyl]but-2-enimidamide
CID 156480061
N'-methyl-N-[(6E)-6-methylnona-1,6-dien-2-yl]ethanimidamide
CID 156544655
(3E,4Z)-2-N-[5-but-1-en-2-yl-4-[(Z)-4-propylhept-2-en-3-yl]-3H-pyrrol-2-yl]-3-ethylidene-7-N,7-N-dimethyl-6-methylideneocta-1,4,7-triene-2,7-diamine
CID 167215368
N'-[(Z,4Z)-4-ethylidenehept-2-en-3-yl]-N-[5-[1-[[(3E,5Z)-2-iodo-4-propylhepta-1,3,5-trien-3-yl]amino]ethylideneamino]pentyl]ethanimidamide
CID 176532732
N-[3-[4-(but-1-en-2-ylamino)cyclohexa-1,3-dien-1-yl]prop-1-en-2-yl]-N'-(3,3-dimethylbutyl)ethanimidamide
CID 143053469

Frequently Asked Questions

What is the IUPAC name of N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide;ethane?
The IUPAC name of N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide;ethane (CID 155696643) is N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide;ethane.
What is the SMILES notation for N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide;ethane?
The canonical SMILES for N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide;ethane is C=C(/C=C(\C)N/C(C)=N/C)CCCCCN(C)C.CC.
What is the InChIKey of N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide;ethane?
The InChIKey is MVBVJIZXEYPCIO-UNGNXWFZSA-N. The full InChI is InChI=1S/C15H29N3.C2H6/c1-13(10-8-7-9-11-18(5)6)12-14(2)17-15(3)16-4;1-2/h12H,1,7-11H2,2-6H3,(H,16,17);1-2H3/b14-12+;.
What are the key properties of N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide;ethane?
N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide;ethane has a molecular weight of 281.49 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide;ethane is sourced from PubChem (CID 155696643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).