N',2-dimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine

C11H25N3O — CID 79171481

IUPACN',2-dimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
SMILESCC(CN)CN(C)CC1CN(C)CCO1
InChIInChI=1S/C11H25N3O/c1-10(6-12)7-14(3)9-11-8-13(2)4-5-15-11/h10-11H,4-9,12H2,1-3H3
InChIKeyNJAHDOQBLANJQR-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.16
Rot. Bonds5

About N',2-dimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine

N',2-dimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine (PubChem CID 79171481) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is N',2-dimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
PubChem CID79171481
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC NameN',2-dimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
SMILESCC(CN)CN(C)CC1CN(C)CCO1
InChIInChI=1S/C11H25N3O/c1-10(6-12)7-14(3)9-11-8-13(2)4-5-15-11/h10-11H,4-9,12H2,1-3H3
InChIKeyNJAHDOQBLANJQR-UHFFFAOYSA-N
XLogP-0.16
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N',2-trimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
CID 106915890
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61431602
N'-(2-aminoethyl)-N'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79171859
4-methyl-2-(3-methylbutyl)morpholine
CID 59613546
5-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-1-amine
CID 107205092
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-piperazin-1-ylethanamine
CID 79182703
2-(4-methylmorpholin-2-yl)ethanamine
CID 19961939
4-[[methyl-[(4-methylmorpholin-2-yl)methyl]amino]methyl]oxan-4-ol
CID 113269056
1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(oxan-4-ylmethyl)methanamine
CID 129344493
2-[2-[(dimethylamino)methyl]morpholin-4-yl]propan-1-amine
CID 83831938
N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 115198906

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N',2-dimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine (CID 79171481) is N',2-dimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N',2-dimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N',2-dimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine is CC(CN)CN(C)CC1CN(C)CCO1.
What is the InChIKey of N',2-dimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine?
The InChIKey is NJAHDOQBLANJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-10(6-12)7-14(3)9-11-8-13(2)4-5-15-11/h10-11H,4-9,12H2,1-3H3.
What are the key properties of N',2-dimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine?
N',2-dimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine has a molecular weight of 215.34 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 79171481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).