N'-(2-morpholin-4-ylethyl)-N'-propylpropane-1,3-diamine

C12H27N3O — CID 43137359

IUPACN'-(2-morpholin-4-ylethyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)CCN1CCOCC1
InChIInChI=1S/C12H27N3O/c1-2-5-14(6-3-4-13)7-8-15-9-11-16-12-10-15/h2-13H2,1H3
InChIKeyKVUYLWJCBGNYQJ-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.38
Rot. Bonds8

About N'-(2-morpholin-4-ylethyl)-N'-propylpropane-1,3-diamine

N'-(2-morpholin-4-ylethyl)-N'-propylpropane-1,3-diamine (PubChem CID 43137359) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N'-(2-morpholin-4-ylethyl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-morpholin-4-ylethyl)-N'-propylpropane-1,3-diamine
PubChem CID43137359
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN'-(2-morpholin-4-ylethyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)CCN1CCOCC1
InChIInChI=1S/C12H27N3O/c1-2-5-14(6-3-4-13)7-8-15-9-11-16-12-10-15/h2-13H2,1H3
InChIKeyKVUYLWJCBGNYQJ-UHFFFAOYSA-N
XLogP0.38
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-(2-morpholin-4-ylethyl)-N'-propylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-morpholin-4-ylethyl(propyl)amino]ethanol
CID 60692272
N'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 107367226
ethane;4-propylmorpholine
CID 143004992
N'-butyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 82892276
N-methyl-3-morpholin-4-yl-N-propylpropan-1-amine
CID 146735339
5-methoxy-3-methylidene-N-(2-morpholin-4-ylethyl)-N-propylpentan-1-amine
CID 143677808
7-morpholin-4-ylheptan-1-amine
CID 28596900
hydrazine;5-morpholin-4-ylpentan-1-amine
CID 160561706
N-[2-(2-ethylmorpholin-4-yl)ethyl]-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)ethanamine
CID 19989285
3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dipropylpropan-1-amine
CID 19846011
butane;4-butylmorpholine
CID 177152600
3-(1,4-oxazepan-4-yl)propan-1-amine
CID 59833420

Frequently Asked Questions

What is the IUPAC name of N'-(2-morpholin-4-ylethyl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-(2-morpholin-4-ylethyl)-N'-propylpropane-1,3-diamine (CID 43137359) is N'-(2-morpholin-4-ylethyl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-morpholin-4-ylethyl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-(2-morpholin-4-ylethyl)-N'-propylpropane-1,3-diamine is CCCN(CCCN)CCN1CCOCC1.
What is the InChIKey of N'-(2-morpholin-4-ylethyl)-N'-propylpropane-1,3-diamine?
The InChIKey is KVUYLWJCBGNYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-2-5-14(6-3-4-13)7-8-15-9-11-16-12-10-15/h2-13H2,1H3.
What are the key properties of N'-(2-morpholin-4-ylethyl)-N'-propylpropane-1,3-diamine?
N'-(2-morpholin-4-ylethyl)-N'-propylpropane-1,3-diamine has a molecular weight of 229.37 g/mol, XLogP of 0.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-morpholin-4-ylethyl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 43137359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).