N-[(Z)-1-cyclohexa-2,4-dien-1-yl-2-(methylideneamino)ethenyl]-2,2-dimethylpropan-1-amine

C14H22N2 — CID 146330544

IUPACN-[(Z)-1-cyclohexa-2,4-dien-1-yl-2-(methylideneamino)ethenyl]-2,2-dimethylpropan-1-amine
SMILESC=N/C=C(\NCC(C)(C)C)C1C=CC=CC1
InChIInChI=1S/C14H22N2/c1-14(2,3)11-16-13(10-15-4)12-8-6-5-7-9-12/h5-8,10,12,16H,4,9,11H2,1-3H3/b13-10-
InChIKeyYPXUBKAMDWIMOF-RAXLEYEMSA-N
MW218.34 g/mol
LogP3.30
Rot. Bonds4

About N-[(Z)-1-cyclohexa-2,4-dien-1-yl-2-(methylideneamino)ethenyl]-2,2-dimethylpropan-1-amine

N-[(Z)-1-cyclohexa-2,4-dien-1-yl-2-(methylideneamino)ethenyl]-2,2-dimethylpropan-1-amine (PubChem CID 146330544) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(Z)-1-cyclohexa-2,4-dien-1-yl-2-(methylideneamino)ethenyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[(Z)-1-cyclohexa-2,4-dien-1-yl-2-(methylideneamino)ethenyl]-2,2-dimethylpropan-1-amine
PubChem CID146330544
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[(Z)-1-cyclohexa-2,4-dien-1-yl-2-(methylideneamino)ethenyl]-2,2-dimethylpropan-1-amine
SMILESC=N/C=C(\NCC(C)(C)C)C1C=CC=CC1
InChIInChI=1S/C14H22N2/c1-14(2,3)11-16-13(10-15-4)12-8-6-5-7-9-12/h5-8,10,12,16H,4,9,11H2,1-3H3/b13-10-
InChIKeyYPXUBKAMDWIMOF-RAXLEYEMSA-N
XLogP3.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.30
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 N-[(Z)-1-cyclohexa-2,4-dien-1-yl-2-(methylideneamino)ethenyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[(Z)-1-cyclohexa-2,4-dien-1-yl-2-(methylideneamino)ethenyl]-2,2-dimethylpropan-1-amine (CID 146330544) is N-[(Z)-1-cyclohexa-2,4-dien-1-yl-2-(methylideneamino)ethenyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[(Z)-1-cyclohexa-2,4-dien-1-yl-2-(methylideneamino)ethenyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[(Z)-1-cyclohexa-2,4-dien-1-yl-2-(methylideneamino)ethenyl]-2,2-dimethylpropan-1-amine is C=N/C=C(\NCC(C)(C)C)C1C=CC=CC1.
What is the InChIKey of N-[(Z)-1-cyclohexa-2,4-dien-1-yl-2-(methylideneamino)ethenyl]-2,2-dimethylpropan-1-amine?
The InChIKey is YPXUBKAMDWIMOF-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H22N2/c1-14(2,3)11-16-13(10-15-4)12-8-6-5-7-9-12/h5-8,10,12,16H,4,9,11H2,1-3H3/b13-10-.
What are the key properties of N-[(Z)-1-cyclohexa-2,4-dien-1-yl-2-(methylideneamino)ethenyl]-2,2-dimethylpropan-1-amine?
N-[(Z)-1-cyclohexa-2,4-dien-1-yl-2-(methylideneamino)ethenyl]-2,2-dimethylpropan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-cyclohexa-2,4-dien-1-yl-2-(methylideneamino)ethenyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 146330544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).