N,2-dimethyl-N-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine

C16H23N — CID 167246445

IUPACN,2-dimethyl-N-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine
SMILESCC1=C(N(C)C2=C(C(C)C)C=CC2)CCC=C1
InChIInChI=1S/C16H23N/c1-12(2)14-9-7-11-16(14)17(4)15-10-6-5-8-13(15)3/h5,7-9,12H,6,10-11H2,1-4H3
InChIKeyZDXHNAIPTYIYBN-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.41
Rot. Bonds3

About N,2-dimethyl-N-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine

N,2-dimethyl-N-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine (PubChem CID 167246445) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N,2-dimethyl-N-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine
PubChem CID167246445
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN,2-dimethyl-N-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine
SMILESCC1=C(N(C)C2=C(C(C)C)C=CC2)CCC=C1
InChIInChI=1S/C16H23N/c1-12(2)14-9-7-11-16(14)17(4)15-10-6-5-8-13(15)3/h5,7-9,12H,6,10-11H2,1-4H3
InChIKeyZDXHNAIPTYIYBN-UHFFFAOYSA-N
XLogP4.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,2-dimethyl-N-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine with MolForge

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Related Compounds

1,2-di(propan-2-yl)cyclohexa-1,3-diene
CID 22218399
1-methyl-2-propan-2-ylcyclopenta-1,3-diene
CID 12500117
1-fluoro-2-propan-2-ylcyclohexa-1,3-diene
CID 130368204
2-methyl-1-propan-2-ylcyclopenta-1,3-diene
CID 18914846
1,2-di(propan-2-yl)cyclopenta-1,3-diene;ethane
CID 162105362
bis(2-propan-2-ylcyclopenta-1,3-dien-1-yl)tin
CID 174160021
dimethyl-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)silane
CID 102435122
N'-(2-fluorocyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 170641457
2-methoxy-1-propan-2-ylcyclohexa-1,3-diene
CID 144673949
3,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,6,10-tetraene
CID 71424931
2-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 121446234
2-(difluoromethyl)-1-ethylcyclohexa-1,3-diene
CID 178056899

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of N,2-dimethyl-N-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine (CID 167246445) is N,2-dimethyl-N-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N,2-dimethyl-N-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for N,2-dimethyl-N-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine is CC1=C(N(C)C2=C(C(C)C)C=CC2)CCC=C1.
What is the InChIKey of N,2-dimethyl-N-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine?
The InChIKey is ZDXHNAIPTYIYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-12(2)14-9-7-11-16(14)17(4)15-10-6-5-8-13(15)3/h5,7-9,12H,6,10-11H2,1-4H3.
What are the key properties of N,2-dimethyl-N-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine?
N,2-dimethyl-N-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine has a molecular weight of 229.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 167246445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).