6-amino-N,N-bis(2-ethoxyethyl)-4-methylhexanamide

C15H32N2O3 — CID 82966076

IUPAC6-amino-N,N-bis(2-ethoxyethyl)-4-methylhexanamide
SMILESCCOCCN(CCOCC)C(=O)CCC(C)CCN
InChIInChI=1S/C15H32N2O3/c1-4-19-12-10-17(11-13-20-5-2)15(18)7-6-14(3)8-9-16/h14H,4-13,16H2,1-3H3
InChIKeyFLRPGVKJESVGMU-UHFFFAOYSA-N
MW288.43 g/mol
LogP1.65
Rot. Bonds13

About 6-amino-N,N-bis(2-ethoxyethyl)-4-methylhexanamide

6-amino-N,N-bis(2-ethoxyethyl)-4-methylhexanamide (PubChem CID 82966076) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is 6-amino-N,N-bis(2-ethoxyethyl)-4-methylhexanamide.

Molecular Properties

Compound Name6-amino-N,N-bis(2-ethoxyethyl)-4-methylhexanamide
PubChem CID82966076
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name6-amino-N,N-bis(2-ethoxyethyl)-4-methylhexanamide
SMILESCCOCCN(CCOCC)C(=O)CCC(C)CCN
InChIInChI=1S/C15H32N2O3/c1-4-19-12-10-17(11-13-20-5-2)15(18)7-6-14(3)8-9-16/h14H,4-13,16H2,1-3H3
InChIKeyFLRPGVKJESVGMU-UHFFFAOYSA-N
XLogP1.65
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
CID 82964992
5-ethoxy-3-methylpentan-1-amine
CID 87063287
N-(2-ethoxyethyl)-N,2-dimethylbutane-1,4-diamine
CID 81055341
6-amino-N-(2-ethoxyethyl)-4-ethyl-N-methylhexanamide
CID 81059329
N,N-bis(2-ethoxyethyl)dodecanamide
CID 87526086
1,1,3,3-tetrakis(2-ethoxyethyl)urea
CID 54341985
(2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
CID 82966284
3-amino-N,N-bis(2-ethoxyethyl)pentanamide
CID 82966276
3-N-(2-ethoxyethyl)-3-N-ethylbutane-1,3-diamine
CID 63698411
3-amino-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81058300
4-amino-N-(2-ethoxyethyl)-N-ethyl-4-phenylbutanamide
CID 63691274
9-amino-7-methylnonan-4-one
CID 116581538

Frequently Asked Questions

What is the IUPAC name of 6-amino-N,N-bis(2-ethoxyethyl)-4-methylhexanamide?
The IUPAC name of 6-amino-N,N-bis(2-ethoxyethyl)-4-methylhexanamide (CID 82966076) is 6-amino-N,N-bis(2-ethoxyethyl)-4-methylhexanamide.
What is the SMILES notation for 6-amino-N,N-bis(2-ethoxyethyl)-4-methylhexanamide?
The canonical SMILES for 6-amino-N,N-bis(2-ethoxyethyl)-4-methylhexanamide is CCOCCN(CCOCC)C(=O)CCC(C)CCN.
What is the InChIKey of 6-amino-N,N-bis(2-ethoxyethyl)-4-methylhexanamide?
The InChIKey is FLRPGVKJESVGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-4-19-12-10-17(11-13-20-5-2)15(18)7-6-14(3)8-9-16/h14H,4-13,16H2,1-3H3.
What are the key properties of 6-amino-N,N-bis(2-ethoxyethyl)-4-methylhexanamide?
6-amino-N,N-bis(2-ethoxyethyl)-4-methylhexanamide has a molecular weight of 288.43 g/mol, XLogP of 1.65, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N,N-bis(2-ethoxyethyl)-4-methylhexanamide is sourced from PubChem (CID 82966076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).