N-but-3-ynyl-N-propylazetidin-3-amine

C10H18N2 — CID 66214886

IUPACN-but-3-ynyl-N-propylazetidin-3-amine
SMILESC#CCCN(CCC)C1CNC1
InChIInChI=1S/C10H18N2/c1-3-5-7-12(6-4-2)10-8-11-9-10/h1,10-11H,4-9H2,2H3
InChIKeyZPWRITGSVGJBIJ-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.69
Rot. Bonds5

About N-but-3-ynyl-N-propylazetidin-3-amine

N-but-3-ynyl-N-propylazetidin-3-amine (PubChem CID 66214886) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-but-3-ynyl-N-propylazetidin-3-amine.

Molecular Properties

Compound NameN-but-3-ynyl-N-propylazetidin-3-amine
PubChem CID66214886
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-but-3-ynyl-N-propylazetidin-3-amine
SMILESC#CCCN(CCC)C1CNC1
InChIInChI=1S/C10H18N2/c1-3-5-7-12(6-4-2)10-8-11-9-10/h1,10-11H,4-9H2,2H3
InChIKeyZPWRITGSVGJBIJ-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

3-[azetidin-3-yl(propyl)amino]propan-1-ol
CID 66215108
N-butyl-N-but-3-ynylcyclopropanamine
CID 63655614
N-(3-methylbutyl)-N-propylazetidin-3-amine
CID 66182647
N-[2-(2-methoxyethoxy)ethyl]-N-propylazetidin-3-amine
CID 66215881
N-ethyl-N-pent-3-ynylazetidin-3-amine
CID 104809046
N-(2-methylbutyl)-N-propylazetidin-3-amine
CID 66183920
N-(2-methylprop-2-enyl)-N-propylazetidin-3-amine
CID 66215524
2-[azetidin-3-yl(propyl)amino]-N,N-dimethylacetamide
CID 62784248
N-(2,2-dimethoxyethyl)-N-propylazetidin-3-amine
CID 81093197
N-(2-bromoprop-2-enyl)-N-propylazetidin-3-amine
CID 66214310
N-but-3-ynyl-N-ethylcyclopentanamine
CID 63657034
N-[3-(2-methoxyethoxy)propyl]-N-propylazetidin-3-amine
CID 103411100

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-N-propylazetidin-3-amine?
The IUPAC name of N-but-3-ynyl-N-propylazetidin-3-amine (CID 66214886) is N-but-3-ynyl-N-propylazetidin-3-amine.
What is the SMILES notation for N-but-3-ynyl-N-propylazetidin-3-amine?
The canonical SMILES for N-but-3-ynyl-N-propylazetidin-3-amine is C#CCCN(CCC)C1CNC1.
What is the InChIKey of N-but-3-ynyl-N-propylazetidin-3-amine?
The InChIKey is ZPWRITGSVGJBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-5-7-12(6-4-2)10-8-11-9-10/h1,10-11H,4-9H2,2H3.
What are the key properties of N-but-3-ynyl-N-propylazetidin-3-amine?
N-but-3-ynyl-N-propylazetidin-3-amine has a molecular weight of 166.27 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-N-propylazetidin-3-amine is sourced from PubChem (CID 66214886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).