1-(2,4-dimethylcyclobutyl)-2,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-imine

C15H27N — CID 88966079

IUPAC1-(2,4-dimethylcyclobutyl)-2,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-imine
SMILESC/C=C\N=C(/C1C(C)CC1C)C(C)(C)CC
InChIInChI=1S/C15H27N/c1-7-9-16-14(15(5,6)8-2)13-11(3)10-12(13)4/h7,9,11-13H,8,10H2,1-6H3/b9-7-,16-14+
InChIKeyTWGNHKRJLXORPC-DVKHVPJTSA-N
MW221.39 g/mol
LogP4.69
Rot. Bonds4

About 1-(2,4-dimethylcyclobutyl)-2,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-imine

1-(2,4-dimethylcyclobutyl)-2,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-imine (PubChem CID 88966079) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1-(2,4-dimethylcyclobutyl)-2,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-imine.

Molecular Properties

Compound Name1-(2,4-dimethylcyclobutyl)-2,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-imine
PubChem CID88966079
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1-(2,4-dimethylcyclobutyl)-2,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-imine
SMILESC/C=C\N=C(/C1C(C)CC1C)C(C)(C)CC
InChIInChI=1S/C15H27N/c1-7-9-16-14(15(5,6)8-2)13-11(3)10-12(13)4/h7,9,11-13H,8,10H2,1-6H3/b9-7-,16-14+
InChIKeyTWGNHKRJLXORPC-DVKHVPJTSA-N
XLogP4.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.69
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 1-(2,4-dimethylcyclobutyl)-2,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-imine?
The IUPAC name of 1-(2,4-dimethylcyclobutyl)-2,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-imine (CID 88966079) is 1-(2,4-dimethylcyclobutyl)-2,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-imine.
What is the SMILES notation for 1-(2,4-dimethylcyclobutyl)-2,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-imine?
The canonical SMILES for 1-(2,4-dimethylcyclobutyl)-2,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-imine is C/C=C\N=C(/C1C(C)CC1C)C(C)(C)CC.
What is the InChIKey of 1-(2,4-dimethylcyclobutyl)-2,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-imine?
The InChIKey is TWGNHKRJLXORPC-DVKHVPJTSA-N. The full InChI is InChI=1S/C15H27N/c1-7-9-16-14(15(5,6)8-2)13-11(3)10-12(13)4/h7,9,11-13H,8,10H2,1-6H3/b9-7-,16-14+.
What are the key properties of 1-(2,4-dimethylcyclobutyl)-2,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-imine?
1-(2,4-dimethylcyclobutyl)-2,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-imine has a molecular weight of 221.39 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylcyclobutyl)-2,2-dimethyl-N-[(Z)-prop-1-enyl]butan-1-imine is sourced from PubChem (CID 88966079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).