(Z)-1-cyclohexa-2,4-dien-1-yl-3,3-dimethylbut-1-en-1-amine

C12H19N — CID 167073843

IUPAC(Z)-1-cyclohexa-2,4-dien-1-yl-3,3-dimethylbut-1-en-1-amine
SMILESCC(C)(C)/C=C(\N)C1C=CC=CC1
InChIInChI=1S/C12H19N/c1-12(2,3)9-11(13)10-7-5-4-6-8-10/h4-7,9-10H,8,13H2,1-3H3/b11-9-
InChIKeyOGPCPVRLAJPDJU-LUAWRHEFSA-N
MW177.29 g/mol
LogP3.01
Rot. Bonds1

About (Z)-1-cyclohexa-2,4-dien-1-yl-3,3-dimethylbut-1-en-1-amine

(Z)-1-cyclohexa-2,4-dien-1-yl-3,3-dimethylbut-1-en-1-amine (PubChem CID 167073843) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (Z)-1-cyclohexa-2,4-dien-1-yl-3,3-dimethylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-cyclohexa-2,4-dien-1-yl-3,3-dimethylbut-1-en-1-amine
PubChem CID167073843
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(Z)-1-cyclohexa-2,4-dien-1-yl-3,3-dimethylbut-1-en-1-amine
SMILESCC(C)(C)/C=C(\N)C1C=CC=CC1
InChIInChI=1S/C12H19N/c1-12(2,3)9-11(13)10-7-5-4-6-8-10/h4-7,9-10H,8,13H2,1-3H3/b11-9-
InChIKeyOGPCPVRLAJPDJU-LUAWRHEFSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl (1R)-cyclohexa-2,4-diene-1-carboxylate
CID 142951121
(Z)-1-cyclohexa-2,4-dien-1-ylpent-2-ene-1,4-dione
CID 11001591
N-[(Z)-1-cyclohexa-2,4-dien-1-yl-2-(methylideneamino)ethenyl]-2,2-dimethylpropan-1-amine
CID 146330544
tris(cyclohexa-2,4-diene-1-carboxylate);iron(3+)
CID 175217418
5-[(3Z)-hexa-1,3-dien-2-yl]cyclohexa-1,3-diene
CID 145302798
5-[(2E,4E)-4-iodohepta-2,4-dien-2-yl]cyclohexa-1,3-diene
CID 89170181
aniline;5-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclohexa-1,3-diene
CID 142359042
1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol
CID 12596377
(E)-5-cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-2-ol
CID 10559238
2-(4-cyclohexa-2,4-dien-1-ylphenyl)propan-2-amine
CID 145073957
2,3-diamino-3-cyclohexa-2,4-dien-1-yl-1-phenylprop-2-en-1-one
CID 154433755
N-cyclohexa-2,4-dien-1-ylhydroxylamine
CID 123806769

Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclohexa-2,4-dien-1-yl-3,3-dimethylbut-1-en-1-amine?
The IUPAC name of (Z)-1-cyclohexa-2,4-dien-1-yl-3,3-dimethylbut-1-en-1-amine (CID 167073843) is (Z)-1-cyclohexa-2,4-dien-1-yl-3,3-dimethylbut-1-en-1-amine.
What is the SMILES notation for (Z)-1-cyclohexa-2,4-dien-1-yl-3,3-dimethylbut-1-en-1-amine?
The canonical SMILES for (Z)-1-cyclohexa-2,4-dien-1-yl-3,3-dimethylbut-1-en-1-amine is CC(C)(C)/C=C(\N)C1C=CC=CC1.
What is the InChIKey of (Z)-1-cyclohexa-2,4-dien-1-yl-3,3-dimethylbut-1-en-1-amine?
The InChIKey is OGPCPVRLAJPDJU-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H19N/c1-12(2,3)9-11(13)10-7-5-4-6-8-10/h4-7,9-10H,8,13H2,1-3H3/b11-9-.
What are the key properties of (Z)-1-cyclohexa-2,4-dien-1-yl-3,3-dimethylbut-1-en-1-amine?
(Z)-1-cyclohexa-2,4-dien-1-yl-3,3-dimethylbut-1-en-1-amine has a molecular weight of 177.29 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclohexa-2,4-dien-1-yl-3,3-dimethylbut-1-en-1-amine is sourced from PubChem (CID 167073843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).