N-ethyl-1-hex-1-yn-3-ylpyrrolidin-3-amine

C12H22N2 — CID 106223599

IUPACN-ethyl-1-hex-1-yn-3-ylpyrrolidin-3-amine
SMILESC#CC(CCC)N1CCC(NCC)C1
InChIInChI=1S/C12H22N2/c1-4-7-12(5-2)14-9-8-11(10-14)13-6-3/h2,11-13H,4,6-10H2,1,3H3
InChIKeyZAQXFHAFDZZFKC-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.47
Rot. Bonds5

About N-ethyl-1-hex-1-yn-3-ylpyrrolidin-3-amine

N-ethyl-1-hex-1-yn-3-ylpyrrolidin-3-amine (PubChem CID 106223599) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-ethyl-1-hex-1-yn-3-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-1-hex-1-yn-3-ylpyrrolidin-3-amine
PubChem CID106223599
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-ethyl-1-hex-1-yn-3-ylpyrrolidin-3-amine
SMILESC#CC(CCC)N1CCC(NCC)C1
InChIInChI=1S/C12H22N2/c1-4-7-12(5-2)14-9-8-11(10-14)13-6-3/h2,11-13H,4,6-10H2,1,3H3
InChIKeyZAQXFHAFDZZFKC-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-hex-1-yn-3-yl-2-methylpiperidin-4-amine
CID 106223621
1-hex-1-yn-3-yl-N,3-dimethylpiperidin-4-amine
CID 106223603
1-hex-1-yn-3-yl-3-methylpiperidin-4-amine
CID 106223617
N-ethyl-1-(3-ethylpentan-2-yl)pyrrolidin-3-amine
CID 63838673
N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 24692919
1-hexan-3-yl-N-propylpyrrolidin-3-amine
CID 62119500
(3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 98177963
ethane;N-ethyl-1-methylpyrrolidin-3-amine
CID 145338055
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethylpyrrolidin-3-amine
CID 79242016
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 43315021
3-cyclopropyl-1-hex-1-yn-3-yl-3-methylpiperazine
CID 106224689
N-hex-5-ynyl-1-propan-2-ylpyrrolidin-3-amine
CID 115694258

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-hex-1-yn-3-ylpyrrolidin-3-amine?
The IUPAC name of N-ethyl-1-hex-1-yn-3-ylpyrrolidin-3-amine (CID 106223599) is N-ethyl-1-hex-1-yn-3-ylpyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-1-hex-1-yn-3-ylpyrrolidin-3-amine?
The canonical SMILES for N-ethyl-1-hex-1-yn-3-ylpyrrolidin-3-amine is C#CC(CCC)N1CCC(NCC)C1.
What is the InChIKey of N-ethyl-1-hex-1-yn-3-ylpyrrolidin-3-amine?
The InChIKey is ZAQXFHAFDZZFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-7-12(5-2)14-9-8-11(10-14)13-6-3/h2,11-13H,4,6-10H2,1,3H3.
What are the key properties of N-ethyl-1-hex-1-yn-3-ylpyrrolidin-3-amine?
N-ethyl-1-hex-1-yn-3-ylpyrrolidin-3-amine has a molecular weight of 194.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-hex-1-yn-3-ylpyrrolidin-3-amine is sourced from PubChem (CID 106223599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).