(Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)prop-1-en-1-amine

C8H15N3 — CID 118972931

IUPAC(Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)prop-1-en-1-amine
SMILES[H]/N=C/C(C)=C(\N=C)N(C)CC
InChIInChI=1S/C8H15N3/c1-5-11(4)8(10-3)7(2)6-9/h6,9H,3,5H2,1-2,4H3/b8-7+,9-6+
InChIKeyHSULDCFDGQJKNB-KHHFIZIMSA-N
MW153.23 g/mol
LogP1.52
Rot. Bonds4

About (Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)prop-1-en-1-amine

(Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)prop-1-en-1-amine (PubChem CID 118972931) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)prop-1-en-1-amine
PubChem CID118972931
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)prop-1-en-1-amine
SMILES[H]/N=C/C(C)=C(\N=C)N(C)CC
InChIInChI=1S/C8H15N3/c1-5-11(4)8(10-3)7(2)6-9/h6,9H,3,5H2,1-2,4H3/b8-7+,9-6+
InChIKeyHSULDCFDGQJKNB-KHHFIZIMSA-N
XLogP1.52
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.52
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,2-dimethyl-1-(methylideneamino)prop-1-en-1-amine?
The IUPAC name of (Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)prop-1-en-1-amine (CID 118972931) is (Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)prop-1-en-1-amine.
What is the SMILES notation for (Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)prop-1-en-1-amine?
The canonical SMILES for (Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)prop-1-en-1-amine is [H]/N=C/C(C)=C(\N=C)N(C)CC.
What is the InChIKey of (Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)prop-1-en-1-amine?
The InChIKey is HSULDCFDGQJKNB-KHHFIZIMSA-N. The full InChI is InChI=1S/C8H15N3/c1-5-11(4)8(10-3)7(2)6-9/h6,9H,3,5H2,1-2,4H3/b8-7+,9-6+.
What are the key properties of (Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)prop-1-en-1-amine?
(Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)prop-1-en-1-amine has a molecular weight of 153.23 g/mol, XLogP of 1.52, 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,2-dimethyl-1-(methylideneamino)prop-1-en-1-amine is sourced from PubChem (CID 118972931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).