N'-[2-(azetidin-3-ylidene)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C13H27N3 — CID 102994260

IUPACN'-[2-(azetidin-3-ylidene)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CC(C)=C1CNC1
InChIInChI=1S/C13H27N3/c1-5-16(8-6-7-15(3)4)11-12(2)13-9-14-10-13/h14H,5-11H2,1-4H3
InChIKeyGNTPCJFUFJNZEZ-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.18
Rot. Bonds7

About N'-[2-(azetidin-3-ylidene)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-[2-(azetidin-3-ylidene)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102994260) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N'-[2-(azetidin-3-ylidene)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(azetidin-3-ylidene)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102994260
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN'-[2-(azetidin-3-ylidene)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CC(C)=C1CNC1
InChIInChI=1S/C13H27N3/c1-5-16(8-6-7-15(3)4)11-12(2)13-9-14-10-13/h14H,5-11H2,1-4H3
InChIKeyGNTPCJFUFJNZEZ-UHFFFAOYSA-N
XLogP1.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-ylidene)-N-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 116679473
2-(azetidin-3-ylidene)-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 116679781
2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 116679793
N-[2-(azetidin-3-ylidene)propyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 116680184
2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-methylpropan-1-amine
CID 116680445
Methanamine;1-propan-2-yl-3-propan-2-ylideneazetidine
CID 90888145
[1-(2-Methylprop-2-enyl)azetidin-3-yl]methanamine
CID 137402491
N'-[2-(azetidin-3-ylidene)propyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994429
2-N-[2-(azetidin-3-ylidene)propyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189497
N-[2-(azetidin-3-ylidene)propyl]-2,2-dimethylbutan-1-amine
CID 103462225
N-(azetidin-3-ylmethyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 104472253
N-[2-(azetidin-3-ylidene)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 114011168

Frequently Asked Questions

What is the IUPAC name of N'-[2-(azetidin-3-ylidene)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(azetidin-3-ylidene)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102994260) is N'-[2-(azetidin-3-ylidene)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(azetidin-3-ylidene)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(azetidin-3-ylidene)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)CC(C)=C1CNC1.
What is the InChIKey of N'-[2-(azetidin-3-ylidene)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is GNTPCJFUFJNZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-5-16(8-6-7-15(3)4)11-12(2)13-9-14-10-13/h14H,5-11H2,1-4H3.
What are the key properties of N'-[2-(azetidin-3-ylidene)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[2-(azetidin-3-ylidene)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 225.38 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(azetidin-3-ylidene)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102994260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).