5-amino-N-ethyl-N-(2-methylbutyl)pentanamide

C12H26N2O — CID 79470392

IUPAC5-amino-N-ethyl-N-(2-methylbutyl)pentanamide
SMILESCCC(C)CN(CC)C(=O)CCCCN
InChIInChI=1S/C12H26N2O/c1-4-11(3)10-14(5-2)12(15)8-6-7-9-13/h11H,4-10,13H2,1-3H3
InChIKeyRFXKUSILHBJFGB-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.01
Rot. Bonds8

About 5-amino-N-ethyl-N-(2-methylbutyl)pentanamide

5-amino-N-ethyl-N-(2-methylbutyl)pentanamide (PubChem CID 79470392) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-(2-methylbutyl)pentanamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-(2-methylbutyl)pentanamide
PubChem CID79470392
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name5-amino-N-ethyl-N-(2-methylbutyl)pentanamide
SMILESCCC(C)CN(CC)C(=O)CCCCN
InChIInChI=1S/C12H26N2O/c1-4-11(3)10-14(5-2)12(15)8-6-7-9-13/h11H,4-10,13H2,1-3H3
InChIKeyRFXKUSILHBJFGB-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[6-aminohexanoyl(ethyl)amino]-2-methylpropanoic acid
CID 62852815
7-amino-N-(2-cyanopropyl)-N-ethylheptanamide
CID 54873246
4-amino-N-(2-cyanopropyl)-N-ethylbutanamide
CID 60962664
6-amino-N-ethyl-N-(2-hydroxyethyl)hexanamide
CID 60944687
6-[ethyl(2-ethylbutyl)amino]-6-oxohexanoic acid
CID 43588237
7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide
CID 54869086
4-amino-N-butan-2-yl-N-ethylbutanamide
CID 43274608
6-amino-N-ethyl-N-(2-methylprop-2-enyl)hexanamide
CID 24701503
5-amino-N,N-diethylhexanamide
CID 82848451
7-amino-N-[3-(diethylamino)propyl]-N-ethylheptanamide
CID 102993033
N,N-diethyloctadecanamide;propan-1-amine;hydrobromide
CID 174816877
1-amino-7-methylnonan-5-one
CID 116571906

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-(2-methylbutyl)pentanamide?
The IUPAC name of 5-amino-N-ethyl-N-(2-methylbutyl)pentanamide (CID 79470392) is 5-amino-N-ethyl-N-(2-methylbutyl)pentanamide.
What is the SMILES notation for 5-amino-N-ethyl-N-(2-methylbutyl)pentanamide?
The canonical SMILES for 5-amino-N-ethyl-N-(2-methylbutyl)pentanamide is CCC(C)CN(CC)C(=O)CCCCN.
What is the InChIKey of 5-amino-N-ethyl-N-(2-methylbutyl)pentanamide?
The InChIKey is RFXKUSILHBJFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-11(3)10-14(5-2)12(15)8-6-7-9-13/h11H,4-10,13H2,1-3H3.
What are the key properties of 5-amino-N-ethyl-N-(2-methylbutyl)pentanamide?
5-amino-N-ethyl-N-(2-methylbutyl)pentanamide has a molecular weight of 214.35 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-(2-methylbutyl)pentanamide is sourced from PubChem (CID 79470392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).