N,N-dimethyl-2-[1,3,4-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]ethanamine

C18H33N — CID 23286764

IUPACN,N-dimethyl-2-[1,3,4-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]ethanamine
SMILESCC(C)C1=CC(CCN(C)C)(C(C)C)C=C1C(C)C
InChIInChI=1S/C18H33N/c1-13(2)16-11-18(15(5)6,9-10-19(7)8)12-17(16)14(3)4/h11-15H,9-10H2,1-8H3
InChIKeyPRKGRIMLTYVSBW-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.76
Rot. Bonds6

About N,N-dimethyl-2-[1,3,4-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]ethanamine

N,N-dimethyl-2-[1,3,4-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]ethanamine (PubChem CID 23286764) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[1,3,4-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[1,3,4-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]ethanamine
PubChem CID23286764
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN,N-dimethyl-2-[1,3,4-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]ethanamine
SMILESCC(C)C1=CC(CCN(C)C)(C(C)C)C=C1C(C)C
InChIInChI=1S/C18H33N/c1-13(2)16-11-18(15(5)6,9-10-19(7)8)12-17(16)14(3)4/h11-15H,9-10H2,1-8H3
InChIKeyPRKGRIMLTYVSBW-UHFFFAOYSA-N
XLogP4.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-2-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine
CID 15657126
3,7-dimethyl-N,N-dipropyloct-6-en-1-amine
CID 13945554
(3E,5E)-3-[(3,4-dimethylcyclopenta-2,4-dien-1-yl)methyl]-N,N,2,2-tetramethyl-6-(trifluoromethyl)octa-3,5,7-trien-1-amine
CID 139541456
N,N-dimethyl-2-(1,2,3,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine
CID 15657127
trimethyl-[[(1R)-3-methylcyclopent-3-en-1-yl]methyl]azanium
CID 118719170
n,n-Dimethyl-1-(1,2,3,5-tetramethyl-6-pentylcyclohexa-2,4-dien-1-yl)methanamine
CID 233424
N,N,N-Trimethyl(1,3,5-trimethyl-2-pentylcyclohexa-2,4-dien-1-yl)methanaminium iodide
CID 24183938
N,N,N-Trimethyl(1,2,3,5-tetramethyl-6-pentylcyclohexa-2,4-dien-1-yl)methanaminium iodide
CID 24183940
3-(2,4-Ditert-butylcyclopenta-2,4-dien-1-yl)propyl-triethylazanium
CID 18341880
6-(2,4-Ditert-butylcyclopenta-2,4-dien-1-yl)hexyl-triethylazanium
CID 18341883
1-[4,5-bis(3-methylpentan-3-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine
CID 18783337
1-[4,5-bis(2-methylbutan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine
CID 18783356

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1,3,4-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[1,3,4-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]ethanamine (CID 23286764) is N,N-dimethyl-2-[1,3,4-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[1,3,4-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[1,3,4-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]ethanamine is CC(C)C1=CC(CCN(C)C)(C(C)C)C=C1C(C)C.
What is the InChIKey of N,N-dimethyl-2-[1,3,4-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]ethanamine?
The InChIKey is PRKGRIMLTYVSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-13(2)16-11-18(15(5)6,9-10-19(7)8)12-17(16)14(3)4/h11-15H,9-10H2,1-8H3.
What are the key properties of N,N-dimethyl-2-[1,3,4-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]ethanamine?
N,N-dimethyl-2-[1,3,4-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]ethanamine has a molecular weight of 263.47 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1,3,4-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]ethanamine is sourced from PubChem (CID 23286764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).