N'-[2-[3-(azetidin-1-yl)propyl-methylamino]ethyl]ethane-1,2-diamine

C11H26N4 — CID 143661106

IUPACN'-[2-[3-(azetidin-1-yl)propyl-methylamino]ethyl]ethane-1,2-diamine
SMILESCN(CCCN1CCC1)CCNCCN
InChIInChI=1S/C11H26N4/c1-14(11-6-13-5-4-12)7-2-8-15-9-3-10-15/h13H,2-12H2,1H3
InChIKeyHZGQVVIHUPPVDV-UHFFFAOYSA-N
MW214.36 g/mol
LogP-0.44
Rot. Bonds9

About N'-[2-[3-(azetidin-1-yl)propyl-methylamino]ethyl]ethane-1,2-diamine

N'-[2-[3-(azetidin-1-yl)propyl-methylamino]ethyl]ethane-1,2-diamine (PubChem CID 143661106) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is N'-[2-[3-(azetidin-1-yl)propyl-methylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[3-(azetidin-1-yl)propyl-methylamino]ethyl]ethane-1,2-diamine
PubChem CID143661106
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC NameN'-[2-[3-(azetidin-1-yl)propyl-methylamino]ethyl]ethane-1,2-diamine
SMILESCN(CCCN1CCC1)CCNCCN
InChIInChI=1S/C11H26N4/c1-14(11-6-13-5-4-12)7-2-8-15-9-3-10-15/h13H,2-12H2,1H3
InChIKeyHZGQVVIHUPPVDV-UHFFFAOYSA-N
XLogP-0.44
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine
CID 155107025
N'-ethyl-N'-methyl-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 62636776
3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine
CID 139401057
N,N'-dimethyl-N'-(3-piperidin-1-ylpropyl)butane-1,4-diamine
CID 164861314
N'-methyl-N'-[2-(2-piperazin-1-ylethylamino)ethyl]ethane-1,2-diamine;molecular hydrogen
CID 143986937
N'-[2-[2-[methyl(propyl)amino]ethylamino]ethyl]ethane-1,2-diamine
CID 154558458
N'-[2-(azepan-1-yl)ethyl]ethane-1,2-diamine;trihydrochloride
CID 119031355
N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine
CID 134394080
N-(4-ethoxybutyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63208969
N'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine;dihydrochloride
CID 86346365
2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]ethanol
CID 122495081
N'-[6-(azepan-1-yl)hexyl]hexane-1,6-diamine;ethane
CID 142304743

Frequently Asked Questions

What is the IUPAC name of N'-[2-[3-(azetidin-1-yl)propyl-methylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[3-(azetidin-1-yl)propyl-methylamino]ethyl]ethane-1,2-diamine (CID 143661106) is N'-[2-[3-(azetidin-1-yl)propyl-methylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[3-(azetidin-1-yl)propyl-methylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[3-(azetidin-1-yl)propyl-methylamino]ethyl]ethane-1,2-diamine is CN(CCCN1CCC1)CCNCCN.
What is the InChIKey of N'-[2-[3-(azetidin-1-yl)propyl-methylamino]ethyl]ethane-1,2-diamine?
The InChIKey is HZGQVVIHUPPVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c1-14(11-6-13-5-4-12)7-2-8-15-9-3-10-15/h13H,2-12H2,1H3.
What are the key properties of N'-[2-[3-(azetidin-1-yl)propyl-methylamino]ethyl]ethane-1,2-diamine?
N'-[2-[3-(azetidin-1-yl)propyl-methylamino]ethyl]ethane-1,2-diamine has a molecular weight of 214.36 g/mol, XLogP of -0.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[3-(azetidin-1-yl)propyl-methylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 143661106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).