3,3-dimethyl-N-[(Z)-prop-1-enyl]butan-2-imine;ethane

C11H23N — CID 142817913

IUPAC3,3-dimethyl-N-[(Z)-prop-1-enyl]butan-2-imine;ethane
SMILESC/C=C\N=C(/C)C(C)(C)C.CC
InChIInChI=1S/C9H17N.C2H6/c1-6-7-10-8(2)9(3,4)5;1-2/h6-7H,1-5H3;1-2H3/b7-6-,10-8+;
InChIKeyJUOOQTOINKDBJH-ZGSKTAACSA-N
MW169.31 g/mol
LogP4.05
Rot. Bonds1

About 3,3-dimethyl-N-[(Z)-prop-1-enyl]butan-2-imine;ethane

3,3-dimethyl-N-[(Z)-prop-1-enyl]butan-2-imine;ethane (PubChem CID 142817913) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(Z)-prop-1-enyl]butan-2-imine;ethane.

Molecular Properties

Compound Name3,3-dimethyl-N-[(Z)-prop-1-enyl]butan-2-imine;ethane
PubChem CID142817913
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name3,3-dimethyl-N-[(Z)-prop-1-enyl]butan-2-imine;ethane
SMILESC/C=C\N=C(/C)C(C)(C)C.CC
InChIInChI=1S/C9H17N.C2H6/c1-6-7-10-8(2)9(3,4)5;1-2/h6-7H,1-5H3;1-2H3/b7-6-,10-8+;
InChIKeyJUOOQTOINKDBJH-ZGSKTAACSA-N
XLogP4.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 54.05
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 3,3-dimethyl-N-[(Z)-prop-1-enyl]butan-2-imine;ethane?
The IUPAC name of 3,3-dimethyl-N-[(Z)-prop-1-enyl]butan-2-imine;ethane (CID 142817913) is 3,3-dimethyl-N-[(Z)-prop-1-enyl]butan-2-imine;ethane.
What is the SMILES notation for 3,3-dimethyl-N-[(Z)-prop-1-enyl]butan-2-imine;ethane?
The canonical SMILES for 3,3-dimethyl-N-[(Z)-prop-1-enyl]butan-2-imine;ethane is C/C=C\N=C(/C)C(C)(C)C.CC.
What is the InChIKey of 3,3-dimethyl-N-[(Z)-prop-1-enyl]butan-2-imine;ethane?
The InChIKey is JUOOQTOINKDBJH-ZGSKTAACSA-N. The full InChI is InChI=1S/C9H17N.C2H6/c1-6-7-10-8(2)9(3,4)5;1-2/h6-7H,1-5H3;1-2H3/b7-6-,10-8+;.
What are the key properties of 3,3-dimethyl-N-[(Z)-prop-1-enyl]butan-2-imine;ethane?
3,3-dimethyl-N-[(Z)-prop-1-enyl]butan-2-imine;ethane has a molecular weight of 169.31 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(Z)-prop-1-enyl]butan-2-imine;ethane is sourced from PubChem (CID 142817913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).