2-methanimidoyl-3-methyl-N-(2-methylbut-1-enyl)-N'-propylbut-2-enimidamide

C14H25N3 — CID 123851049

IUPAC2-methanimidoyl-3-methyl-N-(2-methylbut-1-enyl)-N'-propylbut-2-enimidamide
SMILES[H]/N=C/C(=C(C)C)/C(=N/CCC)NC=C(C)CC
InChIInChI=1S/C14H25N3/c1-6-8-16-14(13(9-15)11(3)4)17-10-12(5)7-2/h9-10,15H,6-8H2,1-5H3,(H,16,17)/b12-10?,15-9+
InChIKeyYCEWHKOXVCEGCX-URHWOBGYSA-N
MW235.38 g/mol
LogP3.68
Rot. Bonds6

About 2-methanimidoyl-3-methyl-N-(2-methylbut-1-enyl)-N'-propylbut-2-enimidamide

2-methanimidoyl-3-methyl-N-(2-methylbut-1-enyl)-N'-propylbut-2-enimidamide (PubChem CID 123851049) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 2-methanimidoyl-3-methyl-N-(2-methylbut-1-enyl)-N'-propylbut-2-enimidamide.

Molecular Properties

Compound Name2-methanimidoyl-3-methyl-N-(2-methylbut-1-enyl)-N'-propylbut-2-enimidamide
PubChem CID123851049
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name2-methanimidoyl-3-methyl-N-(2-methylbut-1-enyl)-N'-propylbut-2-enimidamide
SMILES[H]/N=C/C(=C(C)C)/C(=N/CCC)NC=C(C)CC
InChIInChI=1S/C14H25N3/c1-6-8-16-14(13(9-15)11(3)4)17-10-12(5)7-2/h9-10,15H,6-8H2,1-5H3,(H,16,17)/b12-10?,15-9+
InChIKeyYCEWHKOXVCEGCX-URHWOBGYSA-N
XLogP3.68
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methylidene-N-prop-1-enyl-N'-propylbutanimidamide
CID 90783163
2,3-dimethyl-N'-(2-methylbut-1-enyl)but-2-enimidamide
CID 91599033
(3E)-N-ethenyl-3-[(Z)-3-(methyliminomethyl)pent-3-en-2-ylidene]pyrrol-2-amine
CID 126663390
3-ethyl-N,6-dimethyl-1,4-dihydroazepin-7-imine
CID 136614238
ethane;(3Z)-N-methyl-3-prop-2-enylidene-1H-pyrrol-2-imine
CID 144420339
ethane;(3Z)-N-methyl-3-prop-2-enylidene-1H-pyrrol-2-imine;molecular hydrogen
CID 145419566
(Z)-N',2-dimethyl-N-[(E)-pent-1-enyl]but-2-enimidamide
CID 155274674
N,4-dimethyl-3-propan-2-ylidene-1H-pyrrol-2-imine;ethane
CID 168914281
ethene;N-ethenyl-N',2-dimethylprop-2-enimidamide
CID 168995060
2-methyl-N-pent-1-enyl-N'-prop-1-enylprop-2-enimidamide
CID 174252785
ethane;N-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]-N'-methylmethanimidamide;molecular hydrogen
CID 177015123
ethane;(3Z)-N-ethenyl-3-ethylidenepyrrol-2-amine
CID 177982985

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-3-methyl-N-(2-methylbut-1-enyl)-N'-propylbut-2-enimidamide?
The IUPAC name of 2-methanimidoyl-3-methyl-N-(2-methylbut-1-enyl)-N'-propylbut-2-enimidamide (CID 123851049) is 2-methanimidoyl-3-methyl-N-(2-methylbut-1-enyl)-N'-propylbut-2-enimidamide.
What is the SMILES notation for 2-methanimidoyl-3-methyl-N-(2-methylbut-1-enyl)-N'-propylbut-2-enimidamide?
The canonical SMILES for 2-methanimidoyl-3-methyl-N-(2-methylbut-1-enyl)-N'-propylbut-2-enimidamide is [H]/N=C/C(=C(C)C)/C(=N/CCC)NC=C(C)CC.
What is the InChIKey of 2-methanimidoyl-3-methyl-N-(2-methylbut-1-enyl)-N'-propylbut-2-enimidamide?
The InChIKey is YCEWHKOXVCEGCX-URHWOBGYSA-N. The full InChI is InChI=1S/C14H25N3/c1-6-8-16-14(13(9-15)11(3)4)17-10-12(5)7-2/h9-10,15H,6-8H2,1-5H3,(H,16,17)/b12-10?,15-9+.
What are the key properties of 2-methanimidoyl-3-methyl-N-(2-methylbut-1-enyl)-N'-propylbut-2-enimidamide?
2-methanimidoyl-3-methyl-N-(2-methylbut-1-enyl)-N'-propylbut-2-enimidamide has a molecular weight of 235.38 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-3-methyl-N-(2-methylbut-1-enyl)-N'-propylbut-2-enimidamide is sourced from PubChem (CID 123851049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).