5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)pentanamide

C12H27N3O2 — CID 63007906

IUPAC5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)pentanamide
SMILESCNC(C)(CCCN(C)CCCOC)C(N)=O
InChIInChI=1S/C12H27N3O2/c1-12(14-2,11(13)16)7-5-8-15(3)9-6-10-17-4/h14H,5-10H2,1-4H3,(H2,13,16)
InChIKeyKCRVWOYYAANMFD-UHFFFAOYSA-N
MW245.37 g/mol
LogP0.20
Rot. Bonds10

About 5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)pentanamide

5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)pentanamide (PubChem CID 63007906) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)pentanamide.

Molecular Properties

Compound Name5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)pentanamide
PubChem CID63007906
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)pentanamide
SMILESCNC(C)(CCCN(C)CCCOC)C(N)=O
InChIInChI=1S/C12H27N3O2/c1-12(14-2,11(13)16)7-5-8-15(3)9-6-10-17-4/h14H,5-10H2,1-4H3,(H2,13,16)
InChIKeyKCRVWOYYAANMFD-UHFFFAOYSA-N
XLogP0.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(methylamino)pentanamide
CID 63698755
6-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)hexanamide
CID 63008631
4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)butanoic acid
CID 63009891
5-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)pentanamide
CID 104565427
3-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(methylamino)propanamide
CID 103180146
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(methylamino)propanamide
CID 104565052
6-[3-methoxypropyl(methyl)amino]-2,2-dimethylhexanoic acid
CID 106714036
2-methyl-2-(methylamino)-6-(3,3,3-trifluoropropoxy)hexanamide
CID 82957965
2-methyl-2-(methylamino)heptanamide
CID 80557436
5-[2-methoxyethyl(methyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64825401
4-[3-methoxypropyl(methyl)amino]butanethioamide
CID 62986050
methyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate
CID 81062894

Frequently Asked Questions

What is the IUPAC name of 5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)pentanamide?
The IUPAC name of 5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)pentanamide (CID 63007906) is 5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)pentanamide.
What is the SMILES notation for 5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)pentanamide?
The canonical SMILES for 5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)pentanamide is CNC(C)(CCCN(C)CCCOC)C(N)=O.
What is the InChIKey of 5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)pentanamide?
The InChIKey is KCRVWOYYAANMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-12(14-2,11(13)16)7-5-8-15(3)9-6-10-17-4/h14H,5-10H2,1-4H3,(H2,13,16).
What are the key properties of 5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)pentanamide?
5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)pentanamide has a molecular weight of 245.37 g/mol, XLogP of 0.20, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)pentanamide is sourced from PubChem (CID 63007906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).