N-(1-cyclohexa-2,4-dien-1-yl-2-methylbutan-2-yl)propan-2-imine

C14H23N — CID 90695649

IUPACN-(1-cyclohexa-2,4-dien-1-yl-2-methylbutan-2-yl)propan-2-imine
SMILESCCC(C)(CC1C=CC=CC1)N=C(C)C
InChIInChI=1S/C14H23N/c1-5-14(4,15-12(2)3)11-13-9-7-6-8-10-13/h6-9,13H,5,10-11H2,1-4H3
InChIKeyBVBVDTFYEAXKGC-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.16
Rot. Bonds4

About N-(1-cyclohexa-2,4-dien-1-yl-2-methylbutan-2-yl)propan-2-imine

N-(1-cyclohexa-2,4-dien-1-yl-2-methylbutan-2-yl)propan-2-imine (PubChem CID 90695649) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-(1-cyclohexa-2,4-dien-1-yl-2-methylbutan-2-yl)propan-2-imine.

Molecular Properties

Compound NameN-(1-cyclohexa-2,4-dien-1-yl-2-methylbutan-2-yl)propan-2-imine
PubChem CID90695649
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-(1-cyclohexa-2,4-dien-1-yl-2-methylbutan-2-yl)propan-2-imine
SMILESCCC(C)(CC1C=CC=CC1)N=C(C)C
InChIInChI=1S/C14H23N/c1-5-14(4,15-12(2)3)11-13-9-7-6-8-10-13/h6-9,13H,5,10-11H2,1-4H3
InChIKeyBVBVDTFYEAXKGC-UHFFFAOYSA-N
XLogP4.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol
CID 12596377
3-(cyclohexa-2,4-dien-1-ylmethyl)-2,4-dimethylpentan-3-ol
CID 102386981
5-[(E)-2,2-dimethylpent-3-enyl]cyclohexa-1,3-diene
CID 164675018
5-propylcyclohexa-1,3-diene
CID 13212987
5-(2-methylprop-2-enyl)cyclohexa-1,3-diene
CID 12596386
(1-cyclohexa-2,4-dien-1-yl-2-phenylpropan-2-yl)benzene
CID 163514556
1-cyclohexa-2,4-dien-1-yl-3,3-dimethylbutan-2-one
CID 12828212
(E)-5-cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-2-ol
CID 10559238
5-(ethoxymethyl)cyclohexa-1,3-diene
CID 23229072
5-(2-methylbutan-2-yl)cyclohexa-1,3-diene
CID 154545542
5-[(2Z,4Z)-2-methylhexa-2,4-dienyl]cyclohexa-1,3-diene
CID 143194687
2-cyclohexa-2,4-dien-1-yl-N-ethylacetamide
CID 54481215

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexa-2,4-dien-1-yl-2-methylbutan-2-yl)propan-2-imine?
The IUPAC name of N-(1-cyclohexa-2,4-dien-1-yl-2-methylbutan-2-yl)propan-2-imine (CID 90695649) is N-(1-cyclohexa-2,4-dien-1-yl-2-methylbutan-2-yl)propan-2-imine.
What is the SMILES notation for N-(1-cyclohexa-2,4-dien-1-yl-2-methylbutan-2-yl)propan-2-imine?
The canonical SMILES for N-(1-cyclohexa-2,4-dien-1-yl-2-methylbutan-2-yl)propan-2-imine is CCC(C)(CC1C=CC=CC1)N=C(C)C.
What is the InChIKey of N-(1-cyclohexa-2,4-dien-1-yl-2-methylbutan-2-yl)propan-2-imine?
The InChIKey is BVBVDTFYEAXKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-14(4,15-12(2)3)11-13-9-7-6-8-10-13/h6-9,13H,5,10-11H2,1-4H3.
What are the key properties of N-(1-cyclohexa-2,4-dien-1-yl-2-methylbutan-2-yl)propan-2-imine?
N-(1-cyclohexa-2,4-dien-1-yl-2-methylbutan-2-yl)propan-2-imine has a molecular weight of 205.34 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexa-2,4-dien-1-yl-2-methylbutan-2-yl)propan-2-imine is sourced from PubChem (CID 90695649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).