(E)-2-(ethylideneamino)-N-(2-iodoethyl)-1-(methylideneamino)prop-1-en-1-amine

C8H14IN3 — CID 142460265

IUPAC(E)-2-(ethylideneamino)-N-(2-iodoethyl)-1-(methylideneamino)prop-1-en-1-amine
SMILESC=N/C(NCCI)=C(C)/N=C/C
InChIInChI=1S/C8H14IN3/c1-4-11-7(2)8(10-3)12-6-5-9/h4,12H,3,5-6H2,1-2H3/b8-7-,11-4+
InChIKeyOFGSOQGYMWDPDO-WJMWGRLLSA-N
MW279.13 g/mol
LogP1.99
Rot. Bonds5

About (E)-2-(ethylideneamino)-N-(2-iodoethyl)-1-(methylideneamino)prop-1-en-1-amine

(E)-2-(ethylideneamino)-N-(2-iodoethyl)-1-(methylideneamino)prop-1-en-1-amine (PubChem CID 142460265) has the molecular formula C8H14IN3 and a molecular weight of 279.13 g/mol. Its IUPAC name is (E)-2-(ethylideneamino)-N-(2-iodoethyl)-1-(methylideneamino)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-(ethylideneamino)-N-(2-iodoethyl)-1-(methylideneamino)prop-1-en-1-amine
PubChem CID142460265
Molecular FormulaC8H14IN3
Molecular Weight279.13 g/mol
Exact Mass279.02
IUPAC Name(E)-2-(ethylideneamino)-N-(2-iodoethyl)-1-(methylideneamino)prop-1-en-1-amine
SMILESC=N/C(NCCI)=C(C)/N=C/C
InChIInChI=1S/C8H14IN3/c1-4-11-7(2)8(10-3)12-6-5-9/h4,12H,3,5-6H2,1-2H3/b8-7-,11-4+
InChIKeyOFGSOQGYMWDPDO-WJMWGRLLSA-N
XLogP1.99
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethene;N-[(Z)-4-iodobut-2-en-2-yl]ethanimine
CID 143884394
N-[2-[[(E)-ethylidenecarbamoyl]amino]ethyl]prop-2-enamide
CID 141139350
1-ethenyl-1-ethyl-3-ethylideneurea
CID 141081531
N-[(E)-3-ethenylsulfanylbut-2-en-2-yl]ethanimine
CID 155130289
1-ethenyl-3-ethylidene-1-propylurea
CID 91114731
ethyl (E)-3-(ethylideneamino)-2-methylbut-2-enoate
CID 143807792
N-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimine
CID 138528700
N-[(2E)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimine
CID 126593521
N-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide
CID 141007643
(2Z)-2-(ethylideneamino)-4-methylpenta-2,4-dien-1-amine
CID 142082963
(E)-N,2-dimethyl-N-(methylideneamino)but-2-en-1-amine
CID 142890314
(5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-N-[3-(4-fluorophenyl)propyl]-3-methylundeca-3,6-dien-4-amine
CID 176927064

Frequently Asked Questions

What is the IUPAC name of (E)-2-(ethylideneamino)-N-(2-iodoethyl)-1-(methylideneamino)prop-1-en-1-amine?
The IUPAC name of (E)-2-(ethylideneamino)-N-(2-iodoethyl)-1-(methylideneamino)prop-1-en-1-amine (CID 142460265) is (E)-2-(ethylideneamino)-N-(2-iodoethyl)-1-(methylideneamino)prop-1-en-1-amine.
What is the SMILES notation for (E)-2-(ethylideneamino)-N-(2-iodoethyl)-1-(methylideneamino)prop-1-en-1-amine?
The canonical SMILES for (E)-2-(ethylideneamino)-N-(2-iodoethyl)-1-(methylideneamino)prop-1-en-1-amine is C=N/C(NCCI)=C(C)/N=C/C.
What is the InChIKey of (E)-2-(ethylideneamino)-N-(2-iodoethyl)-1-(methylideneamino)prop-1-en-1-amine?
The InChIKey is OFGSOQGYMWDPDO-WJMWGRLLSA-N. The full InChI is InChI=1S/C8H14IN3/c1-4-11-7(2)8(10-3)12-6-5-9/h4,12H,3,5-6H2,1-2H3/b8-7-,11-4+.
What are the key properties of (E)-2-(ethylideneamino)-N-(2-iodoethyl)-1-(methylideneamino)prop-1-en-1-amine?
(E)-2-(ethylideneamino)-N-(2-iodoethyl)-1-(methylideneamino)prop-1-en-1-amine has a molecular weight of 279.13 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(ethylideneamino)-N-(2-iodoethyl)-1-(methylideneamino)prop-1-en-1-amine is sourced from PubChem (CID 142460265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).