(Z,2S)-4-(ethylideneamino)-N,2-dimethylbut-3-en-1-amine

C8H16N2 — CID 129058668

IUPAC(Z,2S)-4-(ethylideneamino)-N,2-dimethylbut-3-en-1-amine
SMILESC/C=N/C=C\[C@H](C)CNC
InChIInChI=1S/C8H16N2/c1-4-10-6-5-8(2)7-9-3/h4-6,8-9H,7H2,1-3H3/b6-5-,10-4+/t8-/m0/s1
InChIKeyPWPGZQUUZYGWKK-JWBHQAEJSA-N
MW140.23 g/mol
LogP1.45
Rot. Bonds4

About (Z,2S)-4-(ethylideneamino)-N,2-dimethylbut-3-en-1-amine

(Z,2S)-4-(ethylideneamino)-N,2-dimethylbut-3-en-1-amine (PubChem CID 129058668) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (Z,2S)-4-(ethylideneamino)-N,2-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name(Z,2S)-4-(ethylideneamino)-N,2-dimethylbut-3-en-1-amine
PubChem CID129058668
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(Z,2S)-4-(ethylideneamino)-N,2-dimethylbut-3-en-1-amine
SMILESC/C=N/C=C\[C@H](C)CNC
InChIInChI=1S/C8H16N2/c1-4-10-6-5-8(2)7-9-3/h4-6,8-9H,7H2,1-3H3/b6-5-,10-4+/t8-/m0/s1
InChIKeyPWPGZQUUZYGWKK-JWBHQAEJSA-N
XLogP1.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,2S)-4-(ethylideneamino)-N,2-dimethylbut-3-en-1-amine?
The IUPAC name of (Z,2S)-4-(ethylideneamino)-N,2-dimethylbut-3-en-1-amine (CID 129058668) is (Z,2S)-4-(ethylideneamino)-N,2-dimethylbut-3-en-1-amine.
What is the SMILES notation for (Z,2S)-4-(ethylideneamino)-N,2-dimethylbut-3-en-1-amine?
The canonical SMILES for (Z,2S)-4-(ethylideneamino)-N,2-dimethylbut-3-en-1-amine is C/C=N/C=C\[C@H](C)CNC.
What is the InChIKey of (Z,2S)-4-(ethylideneamino)-N,2-dimethylbut-3-en-1-amine?
The InChIKey is PWPGZQUUZYGWKK-JWBHQAEJSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-10-6-5-8(2)7-9-3/h4-6,8-9H,7H2,1-3H3/b6-5-,10-4+/t8-/m0/s1.
What are the key properties of (Z,2S)-4-(ethylideneamino)-N,2-dimethylbut-3-en-1-amine?
(Z,2S)-4-(ethylideneamino)-N,2-dimethylbut-3-en-1-amine has a molecular weight of 140.23 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-4-(ethylideneamino)-N,2-dimethylbut-3-en-1-amine is sourced from PubChem (CID 129058668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).