2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine

C13H29N3O — CID 64535121

IUPAC2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine
SMILESCC(CNCC1CN(C(C)C)CCO1)N(C)C
InChIInChI=1S/C13H29N3O/c1-11(2)16-6-7-17-13(10-16)9-14-8-12(3)15(4)5/h11-14H,6-10H2,1-5H3
InChIKeyGIDYNFYUUOLBKN-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.64
Rot. Bonds6

About 2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine

2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine (PubChem CID 64535121) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine
PubChem CID64535121
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine
SMILESCC(CNCC1CN(C(C)C)CCO1)N(C)C
InChIInChI=1S/C13H29N3O/c1-11(2)16-6-7-17-13(10-16)9-14-8-12(3)15(4)5/h11-14H,6-10H2,1-5H3
InChIKeyGIDYNFYUUOLBKN-UHFFFAOYSA-N
XLogP0.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64532686
3-chloro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]butan-1-amine
CID 65024909
N'-cyclopentyl-N'-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 64534517
2-cyclopentyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64535316
4-propan-2-yl-2-propylmorpholine
CID 118118152
N-[(4-propan-2-ylmorpholin-2-yl)methyl]hexan-3-amine
CID 64532904
1-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 65109049
N-[(2-ethylphenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 64681381
4-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]oxan-4-ol
CID 81130459
N-[(4-propan-2-ylmorpholin-2-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 106325494
4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid
CID 64534544
N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 82723781

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine (CID 64535121) is 2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine is CC(CNCC1CN(C(C)C)CCO1)N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine?
The InChIKey is GIDYNFYUUOLBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-11(2)16-6-7-17-13(10-16)9-14-8-12(3)15(4)5/h11-14H,6-10H2,1-5H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine?
2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine has a molecular weight of 243.39 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 64535121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).