N',2,2-trimethyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine;dihydrochloride

C12H29Cl2N3O — CID 119928928

IUPACN',2,2-trimethyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine;dihydrochloride
SMILESCN(CCN1CCOCC1)CC(C)(C)CN.Cl.Cl
InChIInChI=1S/C12H27N3O.2ClH/c1-12(2,10-13)11-14(3)4-5-15-6-8-16-9-7-15;;/h4-11,13H2,1-3H3;2*1H
InChIKeyZTVSMULVUFOHCJ-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.08
Rot. Bonds6

About N',2,2-trimethyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine;dihydrochloride

N',2,2-trimethyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine;dihydrochloride (PubChem CID 119928928) has the molecular formula C12H29Cl2N3O and a molecular weight of 302.29 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine;dihydrochloride
PubChem CID119928928
Molecular FormulaC12H29Cl2N3O
Molecular Weight302.29 g/mol
Exact Mass301.17
IUPAC NameN',2,2-trimethyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine;dihydrochloride
SMILESCN(CCN1CCOCC1)CC(C)(C)CN.Cl.Cl
InChIInChI=1S/C12H27N3O.2ClH/c1-12(2,10-13)11-14(3)4-5-15-6-8-16-9-7-15;;/h4-11,13H2,1-3H3;2*1H
InChIKeyZTVSMULVUFOHCJ-UHFFFAOYSA-N
XLogP1.08
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[methyl(3-morpholin-4-ylpropyl)amino]propan-2-ol
CID 111488087
N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine
CID 21030135
2,2-diethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 55163623
2-N-methyl-2-N-(2-morpholin-4-ylethyl)propane-1,2-diamine;dihydrochloride
CID 119924809
N,N'-dimethyl-N'-(2-morpholin-4-ylethyl)ethane-1,2-diamine
CID 43374410
zinc;N,N-dimethyl-2-morpholin-4-ylethanamine;dichloride
CID 70152362
2-methyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-amine
CID 63344155
N-methyl-N-(2-morpholin-4-ylethyl)-2-nitrosoethanamine
CID 174194198
3-[methyl(2-morpholin-4-ylethyl)amino]propanoic acid
CID 60987134
N'-hydroxy-2-[methyl(2-morpholin-4-ylethyl)amino]ethanimidamide
CID 76929225
4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxan-4-amine
CID 113280976
N',2,2-trimethyl-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine;dihydrochloride
CID 119928890

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine;dihydrochloride?
The IUPAC name of N',2,2-trimethyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine;dihydrochloride (CID 119928928) is N',2,2-trimethyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine;dihydrochloride.
What is the SMILES notation for N',2,2-trimethyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine;dihydrochloride?
The canonical SMILES for N',2,2-trimethyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine;dihydrochloride is CN(CCN1CCOCC1)CC(C)(C)CN.Cl.Cl.
What is the InChIKey of N',2,2-trimethyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine;dihydrochloride?
The InChIKey is ZTVSMULVUFOHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O.2ClH/c1-12(2,10-13)11-14(3)4-5-15-6-8-16-9-7-15;;/h4-11,13H2,1-3H3;2*1H.
What are the key properties of N',2,2-trimethyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine;dihydrochloride?
N',2,2-trimethyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine;dihydrochloride has a molecular weight of 302.29 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 119928928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).