2-amino-5-methoxy-N-methyl-N-pentylpentanamide

C12H26N2O2 — CID 81082325

IUPAC2-amino-5-methoxy-N-methyl-N-pentylpentanamide
SMILESCCCCCN(C)C(=O)C(N)CCCOC
InChIInChI=1S/C12H26N2O2/c1-4-5-6-9-14(2)12(15)11(13)8-7-10-16-3/h11H,4-10,13H2,1-3H3
InChIKeyBJVHHGSCFOKIHP-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.39
Rot. Bonds9

About 2-amino-5-methoxy-N-methyl-N-pentylpentanamide

2-amino-5-methoxy-N-methyl-N-pentylpentanamide (PubChem CID 81082325) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-methyl-N-pentylpentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-methyl-N-pentylpentanamide
PubChem CID81082325
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-amino-5-methoxy-N-methyl-N-pentylpentanamide
SMILESCCCCCN(C)C(=O)C(N)CCCOC
InChIInChI=1S/C12H26N2O2/c1-4-5-6-9-14(2)12(15)11(13)8-7-10-16-3/h11H,4-10,13H2,1-3H3
InChIKeyBJVHHGSCFOKIHP-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-methoxy-N-(3-methoxypropyl)-N-methylpentanamide
CID 81088448
2-amino-N-(2-hydroxyethyl)-5-methoxy-N-methylpentanamide
CID 81082818
2-amino-N-butyl-N-methylheptanamide;hydrochloride
CID 140973823
(2S)-2-amino-N-butyl-N-methylhexanamide
CID 103830866
2-amino-N-(3-methoxypropyl)-N-methylbutanamide
CID 63010217
(2S)-2-amino-N-(3-methoxypropyl)-N-methylbutanamide
CID 79023136
2-amino-5-methoxy-N-propan-2-yl-N-propylpentanamide
CID 81081647
2-amino-N-(3-methoxypropyl)-N-methylpropanamide
CID 63010028
2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylhexanamide
CID 54873029
2-amino-6-(dimethylamino)-N-methyl-N-propylhexanamide;ethane
CID 145098221
2-amino-N-ethyl-N-(2-hydroxyethyl)-5-methoxypentanamide
CID 81082966
2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide
CID 81088100

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-methyl-N-pentylpentanamide?
The IUPAC name of 2-amino-5-methoxy-N-methyl-N-pentylpentanamide (CID 81082325) is 2-amino-5-methoxy-N-methyl-N-pentylpentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-methyl-N-pentylpentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-methyl-N-pentylpentanamide is CCCCCN(C)C(=O)C(N)CCCOC.
What is the InChIKey of 2-amino-5-methoxy-N-methyl-N-pentylpentanamide?
The InChIKey is BJVHHGSCFOKIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-5-6-9-14(2)12(15)11(13)8-7-10-16-3/h11H,4-10,13H2,1-3H3.
What are the key properties of 2-amino-5-methoxy-N-methyl-N-pentylpentanamide?
2-amino-5-methoxy-N-methyl-N-pentylpentanamide has a molecular weight of 230.35 g/mol, XLogP of 1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-methyl-N-pentylpentanamide is sourced from PubChem (CID 81082325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).