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

C15H23N — CID 90869181

IUPACN-methyl-N-prop-2-ynyl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine
SMILESC#CCN(C)C(C)(C)C1=C(C)CC(C)=C1C
InChIInChI=1S/C15H23N/c1-8-9-16(7)15(5,6)14-12(3)10-11(2)13(14)4/h1H,9-10H2,2-7H3
InChIKeyUPWQZMRIUQFNMF-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.39
Rot. Bonds3

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

N-methyl-N-prop-2-ynyl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine (PubChem CID 90869181) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-methyl-N-prop-2-ynyl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-prop-2-ynyl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine
PubChem CID90869181
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-methyl-N-prop-2-ynyl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine
SMILESC#CCN(C)C(C)(C)C1=C(C)CC(C)=C1C
InChIInChI=1S/C15H23N/c1-8-9-16(7)15(5,6)14-12(3)10-11(2)13(14)4/h1H,9-10H2,2-7H3
InChIKeyUPWQZMRIUQFNMF-UHFFFAOYSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-ynyl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine?
The IUPAC name of N-methyl-N-prop-2-ynyl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine (CID 90869181) is N-methyl-N-prop-2-ynyl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine.
What is the SMILES notation for N-methyl-N-prop-2-ynyl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine?
The canonical SMILES for N-methyl-N-prop-2-ynyl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine is C#CCN(C)C(C)(C)C1=C(C)CC(C)=C1C.
What is the InChIKey of N-methyl-N-prop-2-ynyl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine?
The InChIKey is UPWQZMRIUQFNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-8-9-16(7)15(5,6)14-12(3)10-11(2)13(14)4/h1H,9-10H2,2-7H3.
What are the key properties of N-methyl-N-prop-2-ynyl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine?
N-methyl-N-prop-2-ynyl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine has a molecular weight of 217.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-ynyl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine is sourced from PubChem (CID 90869181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).