N-ethyl-1-(1-ethylcyclopentyl)prop-2-yn-1-amine

C12H21N — CID 104995634

IUPACN-ethyl-1-(1-ethylcyclopentyl)prop-2-yn-1-amine
SMILESC#CC(NCC)C1(CC)CCCC1
InChIInChI=1S/C12H21N/c1-4-11(13-6-3)12(5-2)9-7-8-10-12/h1,11,13H,5-10H2,2-3H3
InChIKeyBIBNDKWCEUIFEY-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.57
Rot. Bonds4

About N-ethyl-1-(1-ethylcyclopentyl)prop-2-yn-1-amine

N-ethyl-1-(1-ethylcyclopentyl)prop-2-yn-1-amine (PubChem CID 104995634) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylcyclopentyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylcyclopentyl)prop-2-yn-1-amine
PubChem CID104995634
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-ethyl-1-(1-ethylcyclopentyl)prop-2-yn-1-amine
SMILESC#CC(NCC)C1(CC)CCCC1
InChIInChI=1S/C12H21N/c1-4-11(13-6-3)12(5-2)9-7-8-10-12/h1,11,13H,5-10H2,2-3H3
InChIKeyBIBNDKWCEUIFEY-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-1-(1-ethylcyclopentyl)prop-2-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine
CID 104995383
N-methyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine
CID 104995384
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 115779478
N-ethyl-3-methyl-1-(1-methylcyclopentyl)butan-1-amine
CID 115782896
1-(1-ethylcyclohexyl)-N-methylethanamine
CID 142438459
N-[(3-ethylcyclohexyl)-(1-ethylcyclopentyl)methyl]ethanamine
CID 104992419
N-[(5-bromo-2-fluorophenyl)-(1-ethylcyclopentyl)methyl]ethanamine
CID 105011844
1-but-3-en-2-yl-1-ethylcyclopentane;propane
CID 145053026
1-(1-ethylcyclopropyl)but-3-yn-1-amine
CID 130554148
N-[(1-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808792
[1-(1-ethylcyclopentyl)-2-methylpropyl]hydrazine
CID 105281723
3-ethyl-1-(1-ethylcyclopentyl)-N-propylpentan-1-amine
CID 105028421

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylcyclopentyl)prop-2-yn-1-amine?
The IUPAC name of N-ethyl-1-(1-ethylcyclopentyl)prop-2-yn-1-amine (CID 104995634) is N-ethyl-1-(1-ethylcyclopentyl)prop-2-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(1-ethylcyclopentyl)prop-2-yn-1-amine?
The canonical SMILES for N-ethyl-1-(1-ethylcyclopentyl)prop-2-yn-1-amine is C#CC(NCC)C1(CC)CCCC1.
What is the InChIKey of N-ethyl-1-(1-ethylcyclopentyl)prop-2-yn-1-amine?
The InChIKey is BIBNDKWCEUIFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-4-11(13-6-3)12(5-2)9-7-8-10-12/h1,11,13H,5-10H2,2-3H3.
What are the key properties of N-ethyl-1-(1-ethylcyclopentyl)prop-2-yn-1-amine?
N-ethyl-1-(1-ethylcyclopentyl)prop-2-yn-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-ethylcyclopentyl)prop-2-yn-1-amine is sourced from PubChem (CID 104995634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).