(Z)-N-ethyl-2-(1-propan-2-ylcyclopropyl)but-2-en-1-imine

C12H21N — CID 176555154

IUPAC(Z)-N-ethyl-2-(1-propan-2-ylcyclopropyl)but-2-en-1-imine
SMILESC/C=C(\C=N\CC)C1(C(C)C)CC1
InChIInChI=1S/C12H21N/c1-5-11(9-13-6-2)12(7-8-12)10(3)4/h5,9-10H,6-8H2,1-4H3/b11-5+,13-9+
InChIKeySGSIXTRWBMPKEG-XFDBBVLASA-N
MW179.31 g/mol
LogP3.46
Rot. Bonds4

About (Z)-N-ethyl-2-(1-propan-2-ylcyclopropyl)but-2-en-1-imine

(Z)-N-ethyl-2-(1-propan-2-ylcyclopropyl)but-2-en-1-imine (PubChem CID 176555154) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (Z)-N-ethyl-2-(1-propan-2-ylcyclopropyl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-ethyl-2-(1-propan-2-ylcyclopropyl)but-2-en-1-imine
PubChem CID176555154
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(Z)-N-ethyl-2-(1-propan-2-ylcyclopropyl)but-2-en-1-imine
SMILESC/C=C(\C=N\CC)C1(C(C)C)CC1
InChIInChI=1S/C12H21N/c1-5-11(9-13-6-2)12(7-8-12)10(3)4/h5,9-10H,6-8H2,1-4H3/b11-5+,13-9+
InChIKeySGSIXTRWBMPKEG-XFDBBVLASA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-2-(1-propan-2-ylcyclopropyl)but-2-en-1-imine?
The IUPAC name of (Z)-N-ethyl-2-(1-propan-2-ylcyclopropyl)but-2-en-1-imine (CID 176555154) is (Z)-N-ethyl-2-(1-propan-2-ylcyclopropyl)but-2-en-1-imine.
What is the SMILES notation for (Z)-N-ethyl-2-(1-propan-2-ylcyclopropyl)but-2-en-1-imine?
The canonical SMILES for (Z)-N-ethyl-2-(1-propan-2-ylcyclopropyl)but-2-en-1-imine is C/C=C(\C=N\CC)C1(C(C)C)CC1.
What is the InChIKey of (Z)-N-ethyl-2-(1-propan-2-ylcyclopropyl)but-2-en-1-imine?
The InChIKey is SGSIXTRWBMPKEG-XFDBBVLASA-N. The full InChI is InChI=1S/C12H21N/c1-5-11(9-13-6-2)12(7-8-12)10(3)4/h5,9-10H,6-8H2,1-4H3/b11-5+,13-9+.
What are the key properties of (Z)-N-ethyl-2-(1-propan-2-ylcyclopropyl)but-2-en-1-imine?
(Z)-N-ethyl-2-(1-propan-2-ylcyclopropyl)but-2-en-1-imine has a molecular weight of 179.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-2-(1-propan-2-ylcyclopropyl)but-2-en-1-imine is sourced from PubChem (CID 176555154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).