1-N-[(Z)-but-2-en-2-yl]-3-ethylpentane-1,4-diimine

C11H20N2 — CID 155179771

IUPAC1-N-[(Z)-but-2-en-2-yl]-3-ethylpentane-1,4-diimine
SMILES[H]/N=C(\C)C(CC)C/C=N/C(C)=C\C
InChIInChI=1S/C11H20N2/c1-5-9(3)13-8-7-11(6-2)10(4)12/h5,8,11-12H,6-7H2,1-4H3/b9-5-,12-10+,13-8+
InChIKeyRTGYPNTVLRPYMN-DRLUVVQHSA-N
MW180.29 g/mol
LogP3.44
Rot. Bonds5

About 1-N-[(Z)-but-2-en-2-yl]-3-ethylpentane-1,4-diimine

1-N-[(Z)-but-2-en-2-yl]-3-ethylpentane-1,4-diimine (PubChem CID 155179771) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-N-[(Z)-but-2-en-2-yl]-3-ethylpentane-1,4-diimine.

Molecular Properties

Compound Name1-N-[(Z)-but-2-en-2-yl]-3-ethylpentane-1,4-diimine
PubChem CID155179771
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-N-[(Z)-but-2-en-2-yl]-3-ethylpentane-1,4-diimine
SMILES[H]/N=C(\C)C(CC)C/C=N/C(C)=C\C
InChIInChI=1S/C11H20N2/c1-5-9(3)13-8-7-11(6-2)10(4)12/h5,8,11-12H,6-7H2,1-4H3/b9-5-,12-10+,13-8+
InChIKeyRTGYPNTVLRPYMN-DRLUVVQHSA-N
XLogP3.44
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.44
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 1-N-[(Z)-but-2-en-2-yl]-3-ethylpentane-1,4-diimine?
The IUPAC name of 1-N-[(Z)-but-2-en-2-yl]-3-ethylpentane-1,4-diimine (CID 155179771) is 1-N-[(Z)-but-2-en-2-yl]-3-ethylpentane-1,4-diimine.
What is the SMILES notation for 1-N-[(Z)-but-2-en-2-yl]-3-ethylpentane-1,4-diimine?
The canonical SMILES for 1-N-[(Z)-but-2-en-2-yl]-3-ethylpentane-1,4-diimine is [H]/N=C(\C)C(CC)C/C=N/C(C)=C\C.
What is the InChIKey of 1-N-[(Z)-but-2-en-2-yl]-3-ethylpentane-1,4-diimine?
The InChIKey is RTGYPNTVLRPYMN-DRLUVVQHSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-9(3)13-8-7-11(6-2)10(4)12/h5,8,11-12H,6-7H2,1-4H3/b9-5-,12-10+,13-8+.
What are the key properties of 1-N-[(Z)-but-2-en-2-yl]-3-ethylpentane-1,4-diimine?
1-N-[(Z)-but-2-en-2-yl]-3-ethylpentane-1,4-diimine has a molecular weight of 180.29 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(Z)-but-2-en-2-yl]-3-ethylpentane-1,4-diimine is sourced from PubChem (CID 155179771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).