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

C14H31N3O — CID 64532925

IUPACN-methyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylethane-1,2-diamine
SMILESCCCN(CCNC)CC1CN(C(C)C)CCO1
InChIInChI=1S/C14H31N3O/c1-5-7-16(8-6-15-4)11-14-12-17(13(2)3)9-10-18-14/h13-15H,5-12H2,1-4H3
InChIKeyJCWDVDUKRKPZCF-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.03
Rot. Bonds8

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

N-methyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylethane-1,2-diamine (PubChem CID 64532925) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is N-methyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylethane-1,2-diamine
PubChem CID64532925
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC NameN-methyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylethane-1,2-diamine
SMILESCCCN(CCNC)CC1CN(C(C)C)CCO1
InChIInChI=1S/C14H31N3O/c1-5-7-16(8-6-15-4)11-14-12-17(13(2)3)9-10-18-14/h13-15H,5-12H2,1-4H3
InChIKeyJCWDVDUKRKPZCF-UHFFFAOYSA-N
XLogP1.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylpropane-1,3-diamine
CID 79662228
N'-hydroxy-2-[(4-propan-2-ylmorpholin-2-yl)methyl-propylamino]ethanimidamide
CID 77043475
4-propan-2-yl-2-propylmorpholine
CID 118118152
N-(2-chloroethyl)-2,2,2-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 107488854
2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine
CID 64535121
ethane;2-(methoxymethyl)-4-propan-2-ylmorpholine
CID 164585009
4-[[ethyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]methyl]aniline
CID 64532725
2-(4-propan-2-ylmorpholin-2-yl)acetonitrile
CID 64534117
3-N-[(4-propan-2-ylmorpholin-2-yl)methyl]-3-N-propylbenzene-1,3-diamine
CID 64533331
N-[(4-propan-2-ylmorpholin-2-yl)methyl]hexan-3-amine
CID 64532904
2-[cyclobutyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]ethanol
CID 102870051
(2S)-4-propan-2-yl-2-(propan-2-yloxymethyl)morpholine
CID 174286235

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylethane-1,2-diamine?
The IUPAC name of N-methyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylethane-1,2-diamine (CID 64532925) is N-methyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylethane-1,2-diamine is CCCN(CCNC)CC1CN(C(C)C)CCO1.
What is the InChIKey of N-methyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylethane-1,2-diamine?
The InChIKey is JCWDVDUKRKPZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-5-7-16(8-6-15-4)11-14-12-17(13(2)3)9-10-18-14/h13-15H,5-12H2,1-4H3.
What are the key properties of N-methyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylethane-1,2-diamine?
N-methyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylethane-1,2-diamine has a molecular weight of 257.42 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylethane-1,2-diamine is sourced from PubChem (CID 64532925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).