2-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine

C15H27N — CID 57187017

IUPAC2-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine
SMILESCC(C)C1=CC(C(C)C)C(CCN(C)C)=C1
InChIInChI=1S/C15H27N/c1-11(2)14-9-13(7-8-16(5)6)15(10-14)12(3)4/h9-12,15H,7-8H2,1-6H3
InChIKeyZWJCYANKOPHXHD-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.73
Rot. Bonds5

About 2-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine

2-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine (PubChem CID 57187017) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine
PubChem CID57187017
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine
SMILESCC(C)C1=CC(C(C)C)C(CCN(C)C)=C1
InChIInChI=1S/C15H27N/c1-11(2)14-9-13(7-8-16(5)6)15(10-14)12(3)4/h9-12,15H,7-8H2,1-6H3
InChIKeyZWJCYANKOPHXHD-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-Diethyl-3,7-dimethyl-6-octen-1-amine
CID 14525584
trimethyl-[[(1R)-3-methylcyclopent-3-en-1-yl]methyl]azanium iodide
CID 118719169
N,N-dimethyl-2-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine
CID 15657126
3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
CID 12982239
4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine
CID 200462
3,7-dimethyl-N,N-dipropyloct-6-en-1-amine
CID 13945554
3-(4-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 53831859
3-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylbutan-1-amine
CID 134365608
3-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpentan-1-amine
CID 134365793
(5Z,6Z)-5-ethylidene-8-fluoro-N,N,4-trimethylnona-6,8-dien-1-amine
CID 134365833
(5Z,7E)-5-ethenyl-8-fluoro-N,N,3-trimethylocta-5,7-dien-2-amine
CID 137467773

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine (CID 57187017) is 2-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine is CC(C)C1=CC(C(C)C)C(CCN(C)C)=C1.
What is the InChIKey of 2-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine?
The InChIKey is ZWJCYANKOPHXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-11(2)14-9-13(7-8-16(5)6)15(10-14)12(3)4/h9-12,15H,7-8H2,1-6H3.
What are the key properties of 2-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine?
2-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine has a molecular weight of 221.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 57187017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).