4-amino-3-[butan-2-yl(ethyl)amino]-N,N-diethylbutanamide

C14H31N3O — CID 66431882

IUPAC4-amino-3-[butan-2-yl(ethyl)amino]-N,N-diethylbutanamide
SMILESCCC(C)N(CC)C(CN)CC(=O)N(CC)CC
InChIInChI=1S/C14H31N3O/c1-6-12(5)17(9-4)13(11-15)10-14(18)16(7-2)8-3/h12-13H,6-11,15H2,1-5H3
InChIKeyGZLAPCBHUMGMTM-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.69
Rot. Bonds9

About 4-amino-3-[butan-2-yl(ethyl)amino]-N,N-diethylbutanamide

4-amino-3-[butan-2-yl(ethyl)amino]-N,N-diethylbutanamide (PubChem CID 66431882) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-amino-3-[butan-2-yl(ethyl)amino]-N,N-diethylbutanamide.

Molecular Properties

Compound Name4-amino-3-[butan-2-yl(ethyl)amino]-N,N-diethylbutanamide
PubChem CID66431882
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name4-amino-3-[butan-2-yl(ethyl)amino]-N,N-diethylbutanamide
SMILESCCC(C)N(CC)C(CN)CC(=O)N(CC)CC
InChIInChI=1S/C14H31N3O/c1-6-12(5)17(9-4)13(11-15)10-14(18)16(7-2)8-3/h12-13H,6-11,15H2,1-5H3
InChIKeyGZLAPCBHUMGMTM-UHFFFAOYSA-N
XLogP1.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N,N-diethyl-3-[2-methylpropyl(pentan-3-yl)amino]butanamide
CID 79490448
4-amino-N,N-diethyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide
CID 66431686
4-amino-3-[butan-2-yl(ethyl)amino]-N-ethylbutanamide
CID 66428428
4-amino-3-[butan-2-yl(ethyl)amino]-N-propan-2-ylbutanamide
CID 66432611
4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-diethylbutanamide
CID 66432910
4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide
CID 66426959
4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432111
3-(aminomethyl)-N,N-diethyl-5-methylhexanamide
CID 25143769
(3R)-N,N-diethyl-3-hydroxybutanamide
CID 11542825
4-amino-3-[butan-2-yl(methyl)amino]butanamide
CID 66426678
2-N-butan-2-yl-2-N-ethyloctane-1,2-diamine
CID 43274343
4-amino-N,N-diethyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]butanamide
CID 66431891

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[butan-2-yl(ethyl)amino]-N,N-diethylbutanamide?
The IUPAC name of 4-amino-3-[butan-2-yl(ethyl)amino]-N,N-diethylbutanamide (CID 66431882) is 4-amino-3-[butan-2-yl(ethyl)amino]-N,N-diethylbutanamide.
What is the SMILES notation for 4-amino-3-[butan-2-yl(ethyl)amino]-N,N-diethylbutanamide?
The canonical SMILES for 4-amino-3-[butan-2-yl(ethyl)amino]-N,N-diethylbutanamide is CCC(C)N(CC)C(CN)CC(=O)N(CC)CC.
What is the InChIKey of 4-amino-3-[butan-2-yl(ethyl)amino]-N,N-diethylbutanamide?
The InChIKey is GZLAPCBHUMGMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-6-12(5)17(9-4)13(11-15)10-14(18)16(7-2)8-3/h12-13H,6-11,15H2,1-5H3.
What are the key properties of 4-amino-3-[butan-2-yl(ethyl)amino]-N,N-diethylbutanamide?
4-amino-3-[butan-2-yl(ethyl)amino]-N,N-diethylbutanamide has a molecular weight of 257.42 g/mol, XLogP of 1.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[butan-2-yl(ethyl)amino]-N,N-diethylbutanamide is sourced from PubChem (CID 66431882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).