(1Z)-3-N-ethyl-2-methyl-1-(methylideneamino)buta-1,3-diene-1,3-diamine

C8H15N3 — CID 155002534

IUPAC(1Z)-3-N-ethyl-2-methyl-1-(methylideneamino)buta-1,3-diene-1,3-diamine
SMILESC=N/C(N)=C(/C)C(=C)NCC
InChIInChI=1S/C8H15N3/c1-5-11-7(3)6(2)8(9)10-4/h11H,3-5,9H2,1-2H3/b8-6-
InChIKeyBJTCIUFSACBWAS-VURMDHGXSA-N
MW153.23 g/mol
LogP1.00
Rot. Bonds4

About (1Z)-3-N-ethyl-2-methyl-1-(methylideneamino)buta-1,3-diene-1,3-diamine

(1Z)-3-N-ethyl-2-methyl-1-(methylideneamino)buta-1,3-diene-1,3-diamine (PubChem CID 155002534) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (1Z)-3-N-ethyl-2-methyl-1-(methylideneamino)buta-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name(1Z)-3-N-ethyl-2-methyl-1-(methylideneamino)buta-1,3-diene-1,3-diamine
PubChem CID155002534
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(1Z)-3-N-ethyl-2-methyl-1-(methylideneamino)buta-1,3-diene-1,3-diamine
SMILESC=N/C(N)=C(/C)C(=C)NCC
InChIInChI=1S/C8H15N3/c1-5-11-7(3)6(2)8(9)10-4/h11H,3-5,9H2,1-2H3/b8-6-
InChIKeyBJTCIUFSACBWAS-VURMDHGXSA-N
XLogP1.00
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-3-N-ethyl-2-methyl-1-(methylideneamino)buta-1,3-diene-1,3-diamine?
The IUPAC name of (1Z)-3-N-ethyl-2-methyl-1-(methylideneamino)buta-1,3-diene-1,3-diamine (CID 155002534) is (1Z)-3-N-ethyl-2-methyl-1-(methylideneamino)buta-1,3-diene-1,3-diamine.
What is the SMILES notation for (1Z)-3-N-ethyl-2-methyl-1-(methylideneamino)buta-1,3-diene-1,3-diamine?
The canonical SMILES for (1Z)-3-N-ethyl-2-methyl-1-(methylideneamino)buta-1,3-diene-1,3-diamine is C=N/C(N)=C(/C)C(=C)NCC.
What is the InChIKey of (1Z)-3-N-ethyl-2-methyl-1-(methylideneamino)buta-1,3-diene-1,3-diamine?
The InChIKey is BJTCIUFSACBWAS-VURMDHGXSA-N. The full InChI is InChI=1S/C8H15N3/c1-5-11-7(3)6(2)8(9)10-4/h11H,3-5,9H2,1-2H3/b8-6-.
What are the key properties of (1Z)-3-N-ethyl-2-methyl-1-(methylideneamino)buta-1,3-diene-1,3-diamine?
(1Z)-3-N-ethyl-2-methyl-1-(methylideneamino)buta-1,3-diene-1,3-diamine has a molecular weight of 153.23 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-N-ethyl-2-methyl-1-(methylideneamino)buta-1,3-diene-1,3-diamine is sourced from PubChem (CID 155002534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).