5-amino-N-butyl-N-ethylhexanamide

C12H26N2O — CID 82848623

IUPAC5-amino-N-butyl-N-ethylhexanamide
SMILESCCCCN(CC)C(=O)CCCC(C)N
InChIInChI=1S/C12H26N2O/c1-4-6-10-14(5-2)12(15)9-7-8-11(3)13/h11H,4-10,13H2,1-3H3
InChIKeyMNEKOIVPFGMSII-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.15
Rot. Bonds8

About 5-amino-N-butyl-N-ethylhexanamide

5-amino-N-butyl-N-ethylhexanamide (PubChem CID 82848623) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 5-amino-N-butyl-N-ethylhexanamide.

Molecular Properties

Compound Name5-amino-N-butyl-N-ethylhexanamide
PubChem CID82848623
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name5-amino-N-butyl-N-ethylhexanamide
SMILESCCCCN(CC)C(=O)CCCC(C)N
InChIInChI=1S/C12H26N2O/c1-4-6-10-14(5-2)12(15)9-7-8-11(3)13/h11H,4-10,13H2,1-3H3
InChIKeyMNEKOIVPFGMSII-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N,N-diethylhexanamide
CID 82848451
5-amino-N-butyl-N-(2-hydroxyethyl)hexanamide
CID 82851620
N-butyl-N-ethylpentanamide
CID 4629847
5-amino-N-ethyl-N-methylhexanamide
CID 82848384
N-(3-aminopropyl)-N-ethyldecanamide
CID 65447961
5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)hexanamide
CID 82851354
N-(3-aminobutyl)-N-ethylpropanamide
CID 134484758
N-ethyl-N-octylbutanamide
CID 138793187
2-aminoundecan-6-one
CID 116610207
N-ethyl-N-(3-hydroxypropyl)heptanamide
CID 115771582
5-amino-N-[2-(dimethylamino)ethyl]-N-methylhexanamide
CID 82852143
N-ethyl-N-(3-hydroxypropyl)decanamide
CID 115771581

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-N-ethylhexanamide?
The IUPAC name of 5-amino-N-butyl-N-ethylhexanamide (CID 82848623) is 5-amino-N-butyl-N-ethylhexanamide.
What is the SMILES notation for 5-amino-N-butyl-N-ethylhexanamide?
The canonical SMILES for 5-amino-N-butyl-N-ethylhexanamide is CCCCN(CC)C(=O)CCCC(C)N.
What is the InChIKey of 5-amino-N-butyl-N-ethylhexanamide?
The InChIKey is MNEKOIVPFGMSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-6-10-14(5-2)12(15)9-7-8-11(3)13/h11H,4-10,13H2,1-3H3.
What are the key properties of 5-amino-N-butyl-N-ethylhexanamide?
5-amino-N-butyl-N-ethylhexanamide has a molecular weight of 214.35 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-N-ethylhexanamide is sourced from PubChem (CID 82848623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).