N'-[2-(azetidin-3-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C12H27N3 — CID 116679847

IUPACN'-[2-(azetidin-3-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCC1CNC1)CCN(C)C
InChIInChI=1S/C12H27N3/c1-4-6-15(9-8-14(2)3)7-5-12-10-13-11-12/h12-13H,4-11H2,1-3H3
InChIKeyOUWPNSMAJWXEMT-UHFFFAOYSA-N
MW213.37 g/mol
LogP0.87
Rot. Bonds8

About N'-[2-(azetidin-3-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[2-(azetidin-3-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 116679847) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N'-[2-(azetidin-3-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(azetidin-3-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID116679847
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN'-[2-(azetidin-3-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCC1CNC1)CCN(C)C
InChIInChI=1S/C12H27N3/c1-4-6-15(9-8-14(2)3)7-5-12-10-13-11-12/h12-13H,4-11H2,1-3H3
InChIKeyOUWPNSMAJWXEMT-UHFFFAOYSA-N
XLogP0.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azetidin-3-yl)ethyl]-N-methylpentan-1-amine
CID 116679385
N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 116679782
N-[2-(azetidin-3-yl)ethyl]-N-methylbutan-2-amine
CID 116679376
N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 116679302
3-butylazetidine
CID 20827268
ethane;N-methyl-N-propylazetidin-3-amine
CID 144899605
4-(azetidin-3-yl)-N,N-dipropylbut-1-en-2-amine
CID 166955539
N,N-diethyl-2-[(3S)-pyrrolidin-3-yl]ethanamine
CID 126580755
2-[2-(azetidin-3-yl)ethyl-ethylamino]-N-ethylacetamide
CID 107390894
1-amino-2-[2-[2-(dimethylamino)ethyl-propylamino]ethyl]cyclopentane-1-carbonitrile
CID 79573307
N,N-dimethyl-N',N'-dipropylpropane-1,3-diamine
CID 89150859
2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-methylethanamine
CID 116679616

Frequently Asked Questions

What is the IUPAC name of N'-[2-(azetidin-3-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[2-(azetidin-3-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 116679847) is N'-[2-(azetidin-3-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(azetidin-3-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[2-(azetidin-3-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCC1CNC1)CCN(C)C.
What is the InChIKey of N'-[2-(azetidin-3-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is OUWPNSMAJWXEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-4-6-15(9-8-14(2)3)7-5-12-10-13-11-12/h12-13H,4-11H2,1-3H3.
What are the key properties of N'-[2-(azetidin-3-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[2-(azetidin-3-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 213.37 g/mol, XLogP of 0.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(azetidin-3-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 116679847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).