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

C12H27N3O — CID 106915890

IUPACN,N',2-trimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
SMILESCNCC(C)CN(C)CC1CN(C)CCO1
InChIInChI=1S/C12H27N3O/c1-11(7-13-2)8-15(4)10-12-9-14(3)5-6-16-12/h11-13H,5-10H2,1-4H3
InChIKeyNAJSVZGYHJPFIS-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.10
Rot. Bonds6

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

N,N',2-trimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine (PubChem CID 106915890) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N,N',2-trimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N',2-trimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
PubChem CID106915890
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN,N',2-trimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
SMILESCNCC(C)CN(C)CC1CN(C)CCO1
InChIInChI=1S/C12H27N3O/c1-11(7-13-2)8-15(4)10-12-9-14(3)5-6-16-12/h11-13H,5-10H2,1-4H3
InChIKeyNAJSVZGYHJPFIS-UHFFFAOYSA-N
XLogP0.10
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',2-dimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
CID 79171481
4-methyl-2-(3-methylbutyl)morpholine
CID 59613546
(2S)-2-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pentan-1-amine
CID 97045047
N,2-dimethyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 166800661
5-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-1-amine
CID 107205092
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butan-1-amine
CID 75356165
N-methyl-N-[[(2S)-4-(4-methylpentyl)morpholin-2-yl]methyl]ethanamine
CID 138727106
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-piperazin-1-ylethanamine
CID 79182703
N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 96645037
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
1-ethyl-3-(3-methylbutyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 110978053

Frequently Asked Questions

What is the IUPAC name of N,N',2-trimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N,N',2-trimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine (CID 106915890) is N,N',2-trimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,N',2-trimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N,N',2-trimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine is CNCC(C)CN(C)CC1CN(C)CCO1.
What is the InChIKey of N,N',2-trimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine?
The InChIKey is NAJSVZGYHJPFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-11(7-13-2)8-15(4)10-12-9-14(3)5-6-16-12/h11-13H,5-10H2,1-4H3.
What are the key properties of N,N',2-trimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine?
N,N',2-trimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine has a molecular weight of 229.37 g/mol, XLogP of 0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-trimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 106915890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).