(2Z)-2-[(ethylideneamino)methylidene]butan-1-imine

C7H12N2 — CID 121445831

IUPAC(2Z)-2-[(ethylideneamino)methylidene]butan-1-imine
SMILES[H]/N=C/C(=C\N=C\C)CC
InChIInChI=1S/C7H12N2/c1-3-7(5-8)6-9-4-2/h4-6,8H,3H2,1-2H3/b7-6-,8-5+,9-4+
InChIKeyBXICVMKHYIMXHD-MMDPPNBZSA-N
MW124.19 g/mol
LogP2.02
Rot. Bonds3

About (2Z)-2-[(ethylideneamino)methylidene]butan-1-imine

(2Z)-2-[(ethylideneamino)methylidene]butan-1-imine (PubChem CID 121445831) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (2Z)-2-[(ethylideneamino)methylidene]butan-1-imine.

Molecular Properties

Compound Name(2Z)-2-[(ethylideneamino)methylidene]butan-1-imine
PubChem CID121445831
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(2Z)-2-[(ethylideneamino)methylidene]butan-1-imine
SMILES[H]/N=C/C(=C\N=C\C)CC
InChIInChI=1S/C7H12N2/c1-3-7(5-8)6-9-4-2/h4-6,8H,3H2,1-2H3/b7-6-,8-5+,9-4+
InChIKeyBXICVMKHYIMXHD-MMDPPNBZSA-N
XLogP2.02
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.02
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 (2Z)-2-[(ethylideneamino)methylidene]butan-1-imine?
The IUPAC name of (2Z)-2-[(ethylideneamino)methylidene]butan-1-imine (CID 121445831) is (2Z)-2-[(ethylideneamino)methylidene]butan-1-imine.
What is the SMILES notation for (2Z)-2-[(ethylideneamino)methylidene]butan-1-imine?
The canonical SMILES for (2Z)-2-[(ethylideneamino)methylidene]butan-1-imine is [H]/N=C/C(=C\N=C\C)CC.
What is the InChIKey of (2Z)-2-[(ethylideneamino)methylidene]butan-1-imine?
The InChIKey is BXICVMKHYIMXHD-MMDPPNBZSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-7(5-8)6-9-4-2/h4-6,8H,3H2,1-2H3/b7-6-,8-5+,9-4+.
What are the key properties of (2Z)-2-[(ethylideneamino)methylidene]butan-1-imine?
(2Z)-2-[(ethylideneamino)methylidene]butan-1-imine has a molecular weight of 124.19 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(ethylideneamino)methylidene]butan-1-imine is sourced from PubChem (CID 121445831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).