2-[(Z)-4,4-dimethylpent-1-enyl]-N,3-dimethylcyclohexa-2,4-dien-1-amine

C15H25N — CID 130224918

IUPAC2-[(Z)-4,4-dimethylpent-1-enyl]-N,3-dimethylcyclohexa-2,4-dien-1-amine
SMILESCNC1CC=CC(C)=C1/C=C\CC(C)(C)C
InChIInChI=1S/C15H25N/c1-12-8-6-10-14(16-5)13(12)9-7-11-15(2,3)4/h6-9,14,16H,10-11H2,1-5H3/b9-7-
InChIKeyXTGMGUNNWMGAEZ-CLFYSBASSA-N
MW219.37 g/mol
LogP3.84
Rot. Bonds3

About 2-[(Z)-4,4-dimethylpent-1-enyl]-N,3-dimethylcyclohexa-2,4-dien-1-amine

2-[(Z)-4,4-dimethylpent-1-enyl]-N,3-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 130224918) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-[(Z)-4,4-dimethylpent-1-enyl]-N,3-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2-[(Z)-4,4-dimethylpent-1-enyl]-N,3-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID130224918
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2-[(Z)-4,4-dimethylpent-1-enyl]-N,3-dimethylcyclohexa-2,4-dien-1-amine
SMILESCNC1CC=CC(C)=C1/C=C\CC(C)(C)C
InChIInChI=1S/C15H25N/c1-12-8-6-10-14(16-5)13(12)9-7-11-15(2,3)4/h6-9,14,16H,10-11H2,1-5H3/b9-7-
InChIKeyXTGMGUNNWMGAEZ-CLFYSBASSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(Z)-4,4-dimethylpent-1-enyl]-N,3-dimethylcyclohexa-2,4-dien-1-amine with MolForge

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Related Compounds

5-(methylamino)cyclopent-2-en-1-one
CID 143826604
(4Z,7Z)-2,2,10,10-tetramethylundeca-4,7-diene
CID 176844045
2-(2,6-dimethylcyclohexa-1,3-dien-1-yl)propan-2-yl hypofluorite;ethane
CID 155717721
tert-butyl N-[(1R)-2-oxocyclopent-3-en-1-yl]carbamate
CID 100954112
N-methyl-2-prop-1-en-2-ylcyclohexa-2,4-dien-1-amine
CID 143703111
(1S)-2-[(1Z)-buta-1,3-dienyl]-N-methyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine
CID 143343575
ethane;1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylcyclohexa-1,3-diene
CID 143867259
3-ethyl-N-methylcyclohexa-2,4-dien-1-amine
CID 123351089
(3R)-1-tert-butyl-3-(methylamino)pyrrolidin-2-one
CID 94236113
2-methyl-6-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydropyridine
CID 175614275
(3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene
CID 158835556
4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene
CID 76700833

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4,4-dimethylpent-1-enyl]-N,3-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 2-[(Z)-4,4-dimethylpent-1-enyl]-N,3-dimethylcyclohexa-2,4-dien-1-amine (CID 130224918) is 2-[(Z)-4,4-dimethylpent-1-enyl]-N,3-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2-[(Z)-4,4-dimethylpent-1-enyl]-N,3-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2-[(Z)-4,4-dimethylpent-1-enyl]-N,3-dimethylcyclohexa-2,4-dien-1-amine is CNC1CC=CC(C)=C1/C=C\CC(C)(C)C.
What is the InChIKey of 2-[(Z)-4,4-dimethylpent-1-enyl]-N,3-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is XTGMGUNNWMGAEZ-CLFYSBASSA-N. The full InChI is InChI=1S/C15H25N/c1-12-8-6-10-14(16-5)13(12)9-7-11-15(2,3)4/h6-9,14,16H,10-11H2,1-5H3/b9-7-.
What are the key properties of 2-[(Z)-4,4-dimethylpent-1-enyl]-N,3-dimethylcyclohexa-2,4-dien-1-amine?
2-[(Z)-4,4-dimethylpent-1-enyl]-N,3-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4,4-dimethylpent-1-enyl]-N,3-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 130224918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).