2,2-dimethyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylpropane-1,3-diamine

C16H35N3O — CID 79662228

IUPAC2,2-dimethyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylpropane-1,3-diamine
SMILESCCCN(CC1CN(C(C)C)CCO1)CC(C)(C)CN
InChIInChI=1S/C16H35N3O/c1-6-7-18(13-16(4,5)12-17)10-15-11-19(14(2)3)8-9-20-15/h14-15H,6-13,17H2,1-5H3
InChIKeyULLZSHCQJNMWND-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.79
Rot. Bonds8

About 2,2-dimethyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylpropane-1,3-diamine

2,2-dimethyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylpropane-1,3-diamine (PubChem CID 79662228) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 2,2-dimethyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylpropane-1,3-diamine
PubChem CID79662228
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name2,2-dimethyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylpropane-1,3-diamine
SMILESCCCN(CC1CN(C(C)C)CCO1)CC(C)(C)CN
InChIInChI=1S/C16H35N3O/c1-6-7-18(13-16(4,5)12-17)10-15-11-19(14(2)3)8-9-20-15/h14-15H,6-13,17H2,1-5H3
InChIKeyULLZSHCQJNMWND-UHFFFAOYSA-N
XLogP1.79
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylethane-1,2-diamine
CID 64532925
N'-hydroxy-2-[(4-propan-2-ylmorpholin-2-yl)methyl-propylamino]ethanimidamide
CID 77043475
N-(2-chloroethyl)-2,2,2-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 107488854
4-propan-2-yl-2-propylmorpholine
CID 118118152
2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine
CID 64535121
4-[[ethyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]methyl]aniline
CID 64532725
3-N-[(4-propan-2-ylmorpholin-2-yl)methyl]-3-N-propylbenzene-1,3-diamine
CID 64533331
2,2-dimethyl-N'-(oxolan-3-ylmethyl)-N'-propylpropane-1,3-diamine
CID 79667897
1-cyclopropyl-N-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 116653050
ethane;2-(methoxymethyl)-4-propan-2-ylmorpholine
CID 164585009
2,2-dimethyl-N'-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine
CID 79667389
2-(4-propan-2-ylmorpholin-2-yl)acetonitrile
CID 64534117

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylpropane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylpropane-1,3-diamine (CID 79662228) is 2,2-dimethyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylpropane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylpropane-1,3-diamine is CCCN(CC1CN(C(C)C)CCO1)CC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylpropane-1,3-diamine?
The InChIKey is ULLZSHCQJNMWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-6-7-18(13-16(4,5)12-17)10-15-11-19(14(2)3)8-9-20-15/h14-15H,6-13,17H2,1-5H3.
What are the key properties of 2,2-dimethyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylpropane-1,3-diamine?
2,2-dimethyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylpropane-1,3-diamine has a molecular weight of 285.48 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79662228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).