2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine

C15H27N — CID 22494447

IUPAC2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine
SMILESCC1=C(C)C(C)C(CCNC(C)(C)C)=C1C
InChIInChI=1S/C15H27N/c1-10-11(2)13(4)14(12(10)3)8-9-16-15(5,6)7/h12,16H,8-9H2,1-7H3
InChIKeyRTQLOHJLOCDQCP-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.07
Rot. Bonds3

About 2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine

2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine (PubChem CID 22494447) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine
PubChem CID22494447
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine
SMILESCC1=C(C)C(C)C(CCNC(C)(C)C)=C1C
InChIInChI=1S/C15H27N/c1-10-11(2)13(4)14(12(10)3)8-9-16-15(5,6)7/h12,16H,8-9H2,1-7H3
InChIKeyRTQLOHJLOCDQCP-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine (CID 22494447) is 2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine is CC1=C(C)C(C)C(CCNC(C)(C)C)=C1C.
What is the InChIKey of 2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine?
The InChIKey is RTQLOHJLOCDQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-10-11(2)13(4)14(12(10)3)8-9-16-15(5,6)7/h12,16H,8-9H2,1-7H3.
What are the key properties of 2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine?
2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine has a molecular weight of 221.39 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 22494447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).