N-ethyl-N-pent-3-ynylazetidin-3-amine

C10H18N2 — CID 104809046

IUPACN-ethyl-N-pent-3-ynylazetidin-3-amine
SMILESCC#CCCN(CC)C1CNC1
InChIInChI=1S/C10H18N2/c1-3-5-6-7-12(4-2)10-8-11-9-10/h10-11H,4,6-9H2,1-2H3
InChIKeyYYMDQAKPKAEDBY-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.69
Rot. Bonds4

About N-ethyl-N-pent-3-ynylazetidin-3-amine

N-ethyl-N-pent-3-ynylazetidin-3-amine (PubChem CID 104809046) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-ethyl-N-pent-3-ynylazetidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-pent-3-ynylazetidin-3-amine
PubChem CID104809046
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-ethyl-N-pent-3-ynylazetidin-3-amine
SMILESCC#CCCN(CC)C1CNC1
InChIInChI=1S/C10H18N2/c1-3-5-6-7-12(4-2)10-8-11-9-10/h10-11H,4,6-9H2,1-2H3
InChIKeyYYMDQAKPKAEDBY-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.69
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-N-(3-methylbutyl)azetidin-3-amine
CID 66182506
N-(2-cyclopropylethyl)-N-ethylazetidin-3-amine
CID 66181540
N-ethyl-N-(4,4,4-trifluorobutyl)azetidin-3-amine
CID 115514933
N-ethyl-N-(3-methylsulfanylpropyl)azetidin-3-amine
CID 66182079
N-but-3-ynyl-N-propylazetidin-3-amine
CID 66214886
N-but-2-ynyl-N-ethylpiperidin-3-amine
CID 63636615
3-[ethyl(piperidin-3-yl)amino]propanenitrile
CID 63636952
N-(2-butoxyethyl)-N-ethylazetidin-3-amine
CID 66182391
2-[azetidin-3-yl(ethyl)amino]acetic acid
CID 66184731
N-ethyl-N-(2-pyridin-4-ylethyl)azetidin-3-amine
CID 66183855
2-[azetidin-3-yl(ethyl)amino]-N,N-diethylacetamide
CID 66182586
2-[azetidin-3-yl(ethyl)amino]-N,N-dimethylacetamide
CID 62786505

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-pent-3-ynylazetidin-3-amine?
The IUPAC name of N-ethyl-N-pent-3-ynylazetidin-3-amine (CID 104809046) is N-ethyl-N-pent-3-ynylazetidin-3-amine.
What is the SMILES notation for N-ethyl-N-pent-3-ynylazetidin-3-amine?
The canonical SMILES for N-ethyl-N-pent-3-ynylazetidin-3-amine is CC#CCCN(CC)C1CNC1.
What is the InChIKey of N-ethyl-N-pent-3-ynylazetidin-3-amine?
The InChIKey is YYMDQAKPKAEDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-5-6-7-12(4-2)10-8-11-9-10/h10-11H,4,6-9H2,1-2H3.
What are the key properties of N-ethyl-N-pent-3-ynylazetidin-3-amine?
N-ethyl-N-pent-3-ynylazetidin-3-amine has a molecular weight of 166.27 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-pent-3-ynylazetidin-3-amine is sourced from PubChem (CID 104809046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).