(Z)-N-[1-[(E)-ethylideneamino]ethenyl]-2-methyl-4-methyliminobut-1-en-1-amine

C10H17N3 — CID 143718084

IUPAC(Z)-N-[1-[(E)-ethylideneamino]ethenyl]-2-methyl-4-methyliminobut-1-en-1-amine
SMILESC=C(/N=C/C)N/C=C(/C)C/C=N/C
InChIInChI=1S/C10H17N3/c1-5-12-10(3)13-8-9(2)6-7-11-4/h5,7-8,13H,3,6H2,1-2,4H3/b9-8-,11-7+,12-5+
InChIKeyCWBZSPLRRROUHA-VIYSYYJLSA-N
MW179.27 g/mol
LogP2.13
Rot. Bonds5

About (Z)-N-[1-[(E)-ethylideneamino]ethenyl]-2-methyl-4-methyliminobut-1-en-1-amine

(Z)-N-[1-[(E)-ethylideneamino]ethenyl]-2-methyl-4-methyliminobut-1-en-1-amine (PubChem CID 143718084) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (Z)-N-[1-[(E)-ethylideneamino]ethenyl]-2-methyl-4-methyliminobut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-[1-[(E)-ethylideneamino]ethenyl]-2-methyl-4-methyliminobut-1-en-1-amine
PubChem CID143718084
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(Z)-N-[1-[(E)-ethylideneamino]ethenyl]-2-methyl-4-methyliminobut-1-en-1-amine
SMILESC=C(/N=C/C)N/C=C(/C)C/C=N/C
InChIInChI=1S/C10H17N3/c1-5-12-10(3)13-8-9(2)6-7-11-4/h5,7-8,13H,3,6H2,1-2,4H3/b9-8-,11-7+,12-5+
InChIKeyCWBZSPLRRROUHA-VIYSYYJLSA-N
XLogP2.13
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-N-[1-[(E)-ethylideneamino]ethenyl]-2-methyl-4-methyliminobut-1-en-1-amine with MolForge

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Related Compounds

5-Ethyl-1,2-dihydropyrimidine
CID 22725087
5-ethyl-2-methylidene-1H-pyrimidine
CID 57672212
5-tert-butyl-2-methylidene-1H-pyrimidine
CID 59212608
(2E)-2-but-3-en-2-ylidene-1H-pyrimidine
CID 88579811
2-methylidene-5-propan-2-yl-1H-pyrimidine
CID 89965841
1,2-Bis(2-methylprop-1-enyl)-3-(2-methylpropylidene)guanidine
CID 123525691
(E)-N-methyl-2-(propylideneamino)but-1-en-1-amine
CID 132024018
ethane;(1Z,4Z,7Z)-8-methyl-3,6-dihydro-2H-1,3,6-triazonine
CID 141809419
ethane;2-ethyl-N-methyl-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine
CID 141904448
(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]-N,2-dimethylbut-1-en-1-amine
CID 142119780
(E)-N-methyl-1-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]pent-1-en-1-amine
CID 143093208
(Z)-N-(3-ethenyl-4-methylidene-1H-pyridin-2-yl)ethanimine
CID 143533360

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-[(E)-ethylideneamino]ethenyl]-2-methyl-4-methyliminobut-1-en-1-amine?
The IUPAC name of (Z)-N-[1-[(E)-ethylideneamino]ethenyl]-2-methyl-4-methyliminobut-1-en-1-amine (CID 143718084) is (Z)-N-[1-[(E)-ethylideneamino]ethenyl]-2-methyl-4-methyliminobut-1-en-1-amine.
What is the SMILES notation for (Z)-N-[1-[(E)-ethylideneamino]ethenyl]-2-methyl-4-methyliminobut-1-en-1-amine?
The canonical SMILES for (Z)-N-[1-[(E)-ethylideneamino]ethenyl]-2-methyl-4-methyliminobut-1-en-1-amine is C=C(/N=C/C)N/C=C(/C)C/C=N/C.
What is the InChIKey of (Z)-N-[1-[(E)-ethylideneamino]ethenyl]-2-methyl-4-methyliminobut-1-en-1-amine?
The InChIKey is CWBZSPLRRROUHA-VIYSYYJLSA-N. The full InChI is InChI=1S/C10H17N3/c1-5-12-10(3)13-8-9(2)6-7-11-4/h5,7-8,13H,3,6H2,1-2,4H3/b9-8-,11-7+,12-5+.
What are the key properties of (Z)-N-[1-[(E)-ethylideneamino]ethenyl]-2-methyl-4-methyliminobut-1-en-1-amine?
(Z)-N-[1-[(E)-ethylideneamino]ethenyl]-2-methyl-4-methyliminobut-1-en-1-amine has a molecular weight of 179.27 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-[(E)-ethylideneamino]ethenyl]-2-methyl-4-methyliminobut-1-en-1-amine is sourced from PubChem (CID 143718084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).