(Z)-N-ethyl-3-imino-N-methyl-1-(methylideneamino)prop-1-en-1-amine

C7H13N3 — CID 90453488

IUPAC(Z)-N-ethyl-3-imino-N-methyl-1-(methylideneamino)prop-1-en-1-amine
SMILES[H]/N=C/C=C(\N=C)N(C)CC
InChIInChI=1S/C7H13N3/c1-4-10(3)7(9-2)5-6-8/h5-6,8H,2,4H2,1,3H3/b7-5+,8-6+
InChIKeyQQAOLMHIBUAASQ-KQQUZDAGSA-N
MW139.20 g/mol
LogP1.13
Rot. Bonds4

About (Z)-N-ethyl-3-imino-N-methyl-1-(methylideneamino)prop-1-en-1-amine

(Z)-N-ethyl-3-imino-N-methyl-1-(methylideneamino)prop-1-en-1-amine (PubChem CID 90453488) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (Z)-N-ethyl-3-imino-N-methyl-1-(methylideneamino)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-3-imino-N-methyl-1-(methylideneamino)prop-1-en-1-amine
PubChem CID90453488
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(Z)-N-ethyl-3-imino-N-methyl-1-(methylideneamino)prop-1-en-1-amine
SMILES[H]/N=C/C=C(\N=C)N(C)CC
InChIInChI=1S/C7H13N3/c1-4-10(3)7(9-2)5-6-8/h5-6,8H,2,4H2,1,3H3/b7-5+,8-6+
InChIKeyQQAOLMHIBUAASQ-KQQUZDAGSA-N
XLogP1.13
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-3-imino-N-methyl-1-(methylideneamino)prop-1-en-1-amine?
The IUPAC name of (Z)-N-ethyl-3-imino-N-methyl-1-(methylideneamino)prop-1-en-1-amine (CID 90453488) is (Z)-N-ethyl-3-imino-N-methyl-1-(methylideneamino)prop-1-en-1-amine.
What is the SMILES notation for (Z)-N-ethyl-3-imino-N-methyl-1-(methylideneamino)prop-1-en-1-amine?
The canonical SMILES for (Z)-N-ethyl-3-imino-N-methyl-1-(methylideneamino)prop-1-en-1-amine is [H]/N=C/C=C(\N=C)N(C)CC.
What is the InChIKey of (Z)-N-ethyl-3-imino-N-methyl-1-(methylideneamino)prop-1-en-1-amine?
The InChIKey is QQAOLMHIBUAASQ-KQQUZDAGSA-N. The full InChI is InChI=1S/C7H13N3/c1-4-10(3)7(9-2)5-6-8/h5-6,8H,2,4H2,1,3H3/b7-5+,8-6+.
What are the key properties of (Z)-N-ethyl-3-imino-N-methyl-1-(methylideneamino)prop-1-en-1-amine?
(Z)-N-ethyl-3-imino-N-methyl-1-(methylideneamino)prop-1-en-1-amine has a molecular weight of 139.20 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-3-imino-N-methyl-1-(methylideneamino)prop-1-en-1-amine is sourced from PubChem (CID 90453488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).