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

C12H25N3O — CID 79172178

IUPACN'-cyclopropyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
SMILESCN1CCOC(CN(CCCN)C2CC2)C1
InChIInChI=1S/C12H25N3O/c1-14-7-8-16-12(9-14)10-15(6-2-5-13)11-3-4-11/h11-12H,2-10,13H2,1H3
InChIKeyWIJUUIBGODYTQW-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.13
Rot. Bonds6

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

N'-cyclopropyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine (PubChem CID 79172178) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N'-cyclopropyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
PubChem CID79172178
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN'-cyclopropyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
SMILESCN1CCOC(CN(CCCN)C2CC2)C1
InChIInChI=1S/C12H25N3O/c1-14-7-8-16-12(9-14)10-15(6-2-5-13)11-3-4-11/h11-12H,2-10,13H2,1H3
InChIKeyWIJUUIBGODYTQW-UHFFFAOYSA-N
XLogP0.13
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclopentyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
CID 79172179
2-[cyclohexyl-[(4-methylmorpholin-2-yl)methyl]amino]ethanol
CID 112734144
N'-(2-aminoethyl)-N'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79171859
N'-(2-methoxyethyl)-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
CID 79171784
2-[cyclopentyl-[(4-methylmorpholin-2-yl)methyl]amino]-N'-hydroxyethanimidamide
CID 79172237
N'-cyclopentyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 43591816
N'-cyclopentyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79166706
2-(4-methylmorpholin-2-yl)ethanamine
CID 19961939
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
N',2-dimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
CID 79171481
3-[(4-methylmorpholin-2-yl)methylsulfonyl]propan-1-amine
CID 81187926
1-(aminomethyl)-N-ethyl-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine
CID 79171980

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine (CID 79172178) is N'-cyclopropyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine is CN1CCOC(CN(CCCN)C2CC2)C1.
What is the InChIKey of N'-cyclopropyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine?
The InChIKey is WIJUUIBGODYTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-14-7-8-16-12(9-14)10-15(6-2-5-13)11-3-4-11/h11-12H,2-10,13H2,1H3.
What are the key properties of N'-cyclopropyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine?
N'-cyclopropyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine has a molecular weight of 227.35 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 79172178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).