N-methyl-N-propan-2-yl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine

C15H27N — CID 58570794

IUPACN-methyl-N-propan-2-yl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine
SMILESCC1=C(C)C(C(C)(C)N(C)C(C)C)=C(C)C1
InChIInChI=1S/C15H27N/c1-10(2)16(8)15(6,7)14-12(4)9-11(3)13(14)5/h10H,9H2,1-8H3
InChIKeyUSGFJAFHIXOPQI-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.16
Rot. Bonds3

About N-methyl-N-propan-2-yl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine

N-methyl-N-propan-2-yl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine (PubChem CID 58570794) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine
PubChem CID58570794
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-methyl-N-propan-2-yl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine
SMILESCC1=C(C)C(C(C)(C)N(C)C(C)C)=C(C)C1
InChIInChI=1S/C15H27N/c1-10(2)16(8)15(6,7)14-12(4)9-11(3)13(14)5/h10H,9H2,1-8H3
InChIKeyUSGFJAFHIXOPQI-UHFFFAOYSA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4,5-tetraethyl-N,N-dimethylcyclopenta-2,4-dien-1-amine
CID 102362227
N,N,1,2,3,4,5-heptamethylcyclopenta-2,4-dien-1-amine
CID 12679268
N,N,2,3,4,5-hexamethylcyclopenta-2,4-dien-1-amine
CID 19067367
N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)propan-1-amine
CID 19608987
N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine
CID 19608993
N-propan-2-yl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine
CID 58570427
1,2-Diethyl-3,4-dimethyl-2,5-dihydropyrrole
CID 58975932
N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-1-amine
CID 67592199
1-ethyl-N,N,2,3,4,5-hexamethylcyclopenta-2,4-dien-1-amine
CID 67629408
1-[2,3-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine
CID 70286977
N-methyl-N-prop-2-ynyl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine
CID 90869181
3-Ethyl-1,2,2,4,5,5-hexamethylpyrrole
CID 123750345

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine?
The IUPAC name of N-methyl-N-propan-2-yl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine (CID 58570794) is N-methyl-N-propan-2-yl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine.
What is the SMILES notation for N-methyl-N-propan-2-yl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine?
The canonical SMILES for N-methyl-N-propan-2-yl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine is CC1=C(C)C(C(C)(C)N(C)C(C)C)=C(C)C1.
What is the InChIKey of N-methyl-N-propan-2-yl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine?
The InChIKey is USGFJAFHIXOPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-10(2)16(8)15(6,7)14-12(4)9-11(3)13(14)5/h10H,9H2,1-8H3.
What are the key properties of N-methyl-N-propan-2-yl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine?
N-methyl-N-propan-2-yl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine has a molecular weight of 221.39 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine is sourced from PubChem (CID 58570794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).