3-N-[2-(azetidin-1-yl)ethyl]-1-N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]-2-N-methylbut-3-ene-1,2,3-triamine

C18H33N5 — CID 170028201

IUPAC3-N-[2-(azetidin-1-yl)ethyl]-1-N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]-2-N-methylbut-3-ene-1,2,3-triamine
SMILESC=CN1CCCC1C(=C)NCC(NC)C(=C)NCCN1CCC1
InChIInChI=1S/C18H33N5/c1-5-23-12-6-8-18(23)16(3)21-14-17(19-4)15(2)20-9-13-22-10-7-11-22/h5,17-21H,1-3,6-14H2,4H3
InChIKeyRIIRYXAPYURPCY-UHFFFAOYSA-N
MW319.50 g/mol
LogP1.09
Rot. Bonds11

About 3-N-[2-(azetidin-1-yl)ethyl]-1-N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]-2-N-methylbut-3-ene-1,2,3-triamine

3-N-[2-(azetidin-1-yl)ethyl]-1-N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]-2-N-methylbut-3-ene-1,2,3-triamine (PubChem CID 170028201) has the molecular formula C18H33N5 and a molecular weight of 319.50 g/mol. Its IUPAC name is 3-N-[2-(azetidin-1-yl)ethyl]-1-N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]-2-N-methylbut-3-ene-1,2,3-triamine.

Molecular Properties

Compound Name3-N-[2-(azetidin-1-yl)ethyl]-1-N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]-2-N-methylbut-3-ene-1,2,3-triamine
PubChem CID170028201
Molecular FormulaC18H33N5
Molecular Weight319.50 g/mol
Exact Mass319.27
IUPAC Name3-N-[2-(azetidin-1-yl)ethyl]-1-N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]-2-N-methylbut-3-ene-1,2,3-triamine
SMILESC=CN1CCCC1C(=C)NCC(NC)C(=C)NCCN1CCC1
InChIInChI=1S/C18H33N5/c1-5-23-12-6-8-18(23)16(3)21-14-17(19-4)15(2)20-9-13-22-10-7-11-22/h5,17-21H,1-3,6-14H2,4H3
InChIKeyRIIRYXAPYURPCY-UHFFFAOYSA-N
XLogP1.09
TPSA42.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-N-[2-(azetidin-1-yl)ethyl]-1-N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]-2-N-methylbut-3-ene-1,2,3-triamine with MolForge

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Related Compounds

1-ethenyl-2-prop-1-en-2-ylpyrrolidine
CID 155697098
methyl 1-ethenylpyrrolidine-2-carboxylate
CID 144567837
2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide
CID 79201801
N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]prop-2-enamide
CID 125422227
2-methyl-1-(4-methylpentyl)-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111416788
1,2-dimethyl-3-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]guanidine
CID 124732350
N-(2-pyrrolidin-1-ylethyl)but-3-en-2-amine
CID 107906914
2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-prop-2-enylguanidine
CID 110980247
2-methyl-1-(5-methylhexan-2-yl)-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111204089
1-[2-(azepan-1-yl)ethyl]-3-cyclopentyl-2-methylguanidine
CID 110990169
(2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 127023416
N-[(1E)-2-[1-[3-(azetidin-1-yl)propyl]pyrrolidin-2-yl]buta-1,3-dienyl]methanimine
CID 176945108

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(azetidin-1-yl)ethyl]-1-N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]-2-N-methylbut-3-ene-1,2,3-triamine?
The IUPAC name of 3-N-[2-(azetidin-1-yl)ethyl]-1-N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]-2-N-methylbut-3-ene-1,2,3-triamine (CID 170028201) is 3-N-[2-(azetidin-1-yl)ethyl]-1-N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]-2-N-methylbut-3-ene-1,2,3-triamine.
What is the SMILES notation for 3-N-[2-(azetidin-1-yl)ethyl]-1-N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]-2-N-methylbut-3-ene-1,2,3-triamine?
The canonical SMILES for 3-N-[2-(azetidin-1-yl)ethyl]-1-N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]-2-N-methylbut-3-ene-1,2,3-triamine is C=CN1CCCC1C(=C)NCC(NC)C(=C)NCCN1CCC1.
What is the InChIKey of 3-N-[2-(azetidin-1-yl)ethyl]-1-N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]-2-N-methylbut-3-ene-1,2,3-triamine?
The InChIKey is RIIRYXAPYURPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5/c1-5-23-12-6-8-18(23)16(3)21-14-17(19-4)15(2)20-9-13-22-10-7-11-22/h5,17-21H,1-3,6-14H2,4H3.
What are the key properties of 3-N-[2-(azetidin-1-yl)ethyl]-1-N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]-2-N-methylbut-3-ene-1,2,3-triamine?
3-N-[2-(azetidin-1-yl)ethyl]-1-N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]-2-N-methylbut-3-ene-1,2,3-triamine has a molecular weight of 319.50 g/mol, XLogP of 1.09, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(azetidin-1-yl)ethyl]-1-N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]-2-N-methylbut-3-ene-1,2,3-triamine is sourced from PubChem (CID 170028201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).