N-(3-aminopropyl)-3-(3,3-dimethylmorpholin-4-yl)-N-methylpropanamide

C13H27N3O2 — CID 61430198

IUPACN-(3-aminopropyl)-3-(3,3-dimethylmorpholin-4-yl)-N-methylpropanamide
SMILESCN(CCCN)C(=O)CCN1CCOCC1(C)C
InChIInChI=1S/C13H27N3O2/c1-13(2)11-18-10-9-16(13)8-5-12(17)15(3)7-4-6-14/h4-11,14H2,1-3H3
InChIKeyPCOIHFJTFIFJDA-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.29
Rot. Bonds6

About N-(3-aminopropyl)-3-(3,3-dimethylmorpholin-4-yl)-N-methylpropanamide

N-(3-aminopropyl)-3-(3,3-dimethylmorpholin-4-yl)-N-methylpropanamide (PubChem CID 61430198) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(3,3-dimethylmorpholin-4-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(3,3-dimethylmorpholin-4-yl)-N-methylpropanamide
PubChem CID61430198
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-(3-aminopropyl)-3-(3,3-dimethylmorpholin-4-yl)-N-methylpropanamide
SMILESCN(CCCN)C(=O)CCN1CCOCC1(C)C
InChIInChI=1S/C13H27N3O2/c1-13(2)11-18-10-9-16(13)8-5-12(17)15(3)7-4-6-14/h4-11,14H2,1-3H3
InChIKeyPCOIHFJTFIFJDA-UHFFFAOYSA-N
XLogP0.29
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(3,3-dimethylmorpholin-4-yl)-N-methylpropanamide?
The IUPAC name of N-(3-aminopropyl)-3-(3,3-dimethylmorpholin-4-yl)-N-methylpropanamide (CID 61430198) is N-(3-aminopropyl)-3-(3,3-dimethylmorpholin-4-yl)-N-methylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(3,3-dimethylmorpholin-4-yl)-N-methylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-3-(3,3-dimethylmorpholin-4-yl)-N-methylpropanamide is CN(CCCN)C(=O)CCN1CCOCC1(C)C.
What is the InChIKey of N-(3-aminopropyl)-3-(3,3-dimethylmorpholin-4-yl)-N-methylpropanamide?
The InChIKey is PCOIHFJTFIFJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-13(2)11-18-10-9-16(13)8-5-12(17)15(3)7-4-6-14/h4-11,14H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-3-(3,3-dimethylmorpholin-4-yl)-N-methylpropanamide?
N-(3-aminopropyl)-3-(3,3-dimethylmorpholin-4-yl)-N-methylpropanamide has a molecular weight of 257.38 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(3,3-dimethylmorpholin-4-yl)-N-methylpropanamide is sourced from PubChem (CID 61430198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).