N-methyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine

C13H23N — CID 104995384

IUPACN-methyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine
SMILESC#CC(NC)C1(CC(C)C)CCCC1
InChIInChI=1S/C13H23N/c1-5-12(14-4)13(10-11(2)3)8-6-7-9-13/h1,11-12,14H,6-10H2,2-4H3
InChIKeyIKNIBKHGGSOCHV-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.81
Rot. Bonds4

About N-methyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine

N-methyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine (PubChem CID 104995384) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-methyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine
PubChem CID104995384
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-methyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine
SMILESC#CC(NC)C1(CC(C)C)CCCC1
InChIInChI=1S/C13H23N/c1-5-12(14-4)13(10-11(2)3)8-6-7-9-13/h1,11-12,14H,6-10H2,2-4H3
InChIKeyIKNIBKHGGSOCHV-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
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-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine?
The IUPAC name of N-methyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine (CID 104995384) is N-methyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine.
What is the SMILES notation for N-methyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine?
The canonical SMILES for N-methyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine is C#CC(NC)C1(CC(C)C)CCCC1.
What is the InChIKey of N-methyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine?
The InChIKey is IKNIBKHGGSOCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-5-12(14-4)13(10-11(2)3)8-6-7-9-13/h1,11-12,14H,6-10H2,2-4H3.
What are the key properties of N-methyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine?
N-methyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine has a molecular weight of 193.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine is sourced from PubChem (CID 104995384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).