(Z)-N'-ethyl-2-methyl-3-(methylideneamino)-N-pentan-3-ylprop-2-enimidamide

C12H23N3 — CID 155572681

IUPAC(Z)-N'-ethyl-2-methyl-3-(methylideneamino)-N-pentan-3-ylprop-2-enimidamide
SMILESC=N/C=C(C)\C(=N\CC)NC(CC)CC
InChIInChI=1S/C12H23N3/c1-6-11(7-2)15-12(14-8-3)10(4)9-13-5/h9,11H,5-8H2,1-4H3,(H,14,15)/b10-9-
InChIKeyRAGPVEJRSUQTIM-KTKRTIGZSA-N
MW209.34 g/mol
LogP2.79
Rot. Bonds6

About (Z)-N'-ethyl-2-methyl-3-(methylideneamino)-N-pentan-3-ylprop-2-enimidamide

(Z)-N'-ethyl-2-methyl-3-(methylideneamino)-N-pentan-3-ylprop-2-enimidamide (PubChem CID 155572681) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (Z)-N'-ethyl-2-methyl-3-(methylideneamino)-N-pentan-3-ylprop-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-ethyl-2-methyl-3-(methylideneamino)-N-pentan-3-ylprop-2-enimidamide
PubChem CID155572681
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(Z)-N'-ethyl-2-methyl-3-(methylideneamino)-N-pentan-3-ylprop-2-enimidamide
SMILESC=N/C=C(C)\C(=N\CC)NC(CC)CC
InChIInChI=1S/C12H23N3/c1-6-11(7-2)15-12(14-8-3)10(4)9-13-5/h9,11H,5-8H2,1-4H3,(H,14,15)/b10-9-
InChIKeyRAGPVEJRSUQTIM-KTKRTIGZSA-N
XLogP2.79
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
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

6-Ethyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine
CID 22756056
2-methyl-N,N'-di(propan-2-yl)prop-2-enimidamide
CID 88832844
(E)-N-butan-2-yl-N',2-dimethylbut-2-enimidamide
CID 118972865
(Z)-3-amino-N-ethyl-N',2-dimethylprop-2-enimidamide
CID 118972951
(Z)-3-amino-N-ethyl-N',2-dimethyl-N-propylprop-2-enimidamide
CID 118973186
N',2-dimethyl-N-propylprop-2-enimidamide
CID 118973463
N'-[(E)-2-methyl-3-(propan-2-ylamino)prop-1-enyl]methanimidamide
CID 130216393
N-[(Z)-1-aminoprop-1-en-2-yl]-N'-butyl-2-methylprop-2-enimidamide;azane
CID 144465595
2-methyl-N,N'-dipropylprop-2-enimidamide
CID 149152627
(Z)-N-ethyl-N',2-dimethyl-3-(methylideneamino)prop-2-enimidamide
CID 155721817
(Z)-N-butyl-N',2-dimethyl-3-(methylideneamino)prop-2-enimidamide
CID 156453646
2,6-Dimethyl-1,2-dihydro-1,4-diazepin-7-imine
CID 176548006

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-ethyl-2-methyl-3-(methylideneamino)-N-pentan-3-ylprop-2-enimidamide?
The IUPAC name of (Z)-N'-ethyl-2-methyl-3-(methylideneamino)-N-pentan-3-ylprop-2-enimidamide (CID 155572681) is (Z)-N'-ethyl-2-methyl-3-(methylideneamino)-N-pentan-3-ylprop-2-enimidamide.
What is the SMILES notation for (Z)-N'-ethyl-2-methyl-3-(methylideneamino)-N-pentan-3-ylprop-2-enimidamide?
The canonical SMILES for (Z)-N'-ethyl-2-methyl-3-(methylideneamino)-N-pentan-3-ylprop-2-enimidamide is C=N/C=C(C)\C(=N\CC)NC(CC)CC.
What is the InChIKey of (Z)-N'-ethyl-2-methyl-3-(methylideneamino)-N-pentan-3-ylprop-2-enimidamide?
The InChIKey is RAGPVEJRSUQTIM-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H23N3/c1-6-11(7-2)15-12(14-8-3)10(4)9-13-5/h9,11H,5-8H2,1-4H3,(H,14,15)/b10-9-.
What are the key properties of (Z)-N'-ethyl-2-methyl-3-(methylideneamino)-N-pentan-3-ylprop-2-enimidamide?
(Z)-N'-ethyl-2-methyl-3-(methylideneamino)-N-pentan-3-ylprop-2-enimidamide has a molecular weight of 209.34 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-ethyl-2-methyl-3-(methylideneamino)-N-pentan-3-ylprop-2-enimidamide is sourced from PubChem (CID 155572681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).