4-amino-N,N-diethyl-3-[2-methylpropyl(pentan-3-yl)amino]butanamide

C17H37N3O — CID 79490448

IUPAC4-amino-N,N-diethyl-3-[2-methylpropyl(pentan-3-yl)amino]butanamide
SMILESCCC(CC)N(CC(C)C)C(CN)CC(=O)N(CC)CC
InChIInChI=1S/C17H37N3O/c1-7-15(8-2)20(13-14(5)6)16(12-18)11-17(21)19(9-3)10-4/h14-16H,7-13,18H2,1-6H3
InChIKeyFZGIWCJFBUYCLE-UHFFFAOYSA-N
MW299.50 g/mol
LogP2.72
Rot. Bonds11

About 4-amino-N,N-diethyl-3-[2-methylpropyl(pentan-3-yl)amino]butanamide

4-amino-N,N-diethyl-3-[2-methylpropyl(pentan-3-yl)amino]butanamide (PubChem CID 79490448) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is 4-amino-N,N-diethyl-3-[2-methylpropyl(pentan-3-yl)amino]butanamide.

Molecular Properties

Compound Name4-amino-N,N-diethyl-3-[2-methylpropyl(pentan-3-yl)amino]butanamide
PubChem CID79490448
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC Name4-amino-N,N-diethyl-3-[2-methylpropyl(pentan-3-yl)amino]butanamide
SMILESCCC(CC)N(CC(C)C)C(CN)CC(=O)N(CC)CC
InChIInChI=1S/C17H37N3O/c1-7-15(8-2)20(13-14(5)6)16(12-18)11-17(21)19(9-3)10-4/h14-16H,7-13,18H2,1-6H3
InChIKeyFZGIWCJFBUYCLE-UHFFFAOYSA-N
XLogP2.72
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N,N-diethyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide
CID 66431686
4-amino-3-[butan-2-yl(ethyl)amino]-N,N-diethylbutanamide
CID 66431882
3-(aminomethyl)-N,N-diethyl-5-methylhexanamide
CID 25143769
4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-diethylbutanamide
CID 66432910
2-N-(2-methylpropyl)-4-methylsulfanyl-2-N-pentan-3-ylbutane-1,2-diamine
CID 79483686
3-(aminomethyl)-N-ethyl-5-methyl-N-(2-methylbutyl)hexanamide
CID 79469974
ethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate
CID 79483065
3-ethyl-2-N-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine
CID 79484103
(3R)-N,N-diethyl-3-hydroxybutanamide
CID 11542825
N-(aminomethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 144977230
4-(diethylamino)-2-ethyl-4-oxobutanoic acid
CID 112515205
4-amino-N-methyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide
CID 66429259

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-diethyl-3-[2-methylpropyl(pentan-3-yl)amino]butanamide?
The IUPAC name of 4-amino-N,N-diethyl-3-[2-methylpropyl(pentan-3-yl)amino]butanamide (CID 79490448) is 4-amino-N,N-diethyl-3-[2-methylpropyl(pentan-3-yl)amino]butanamide.
What is the SMILES notation for 4-amino-N,N-diethyl-3-[2-methylpropyl(pentan-3-yl)amino]butanamide?
The canonical SMILES for 4-amino-N,N-diethyl-3-[2-methylpropyl(pentan-3-yl)amino]butanamide is CCC(CC)N(CC(C)C)C(CN)CC(=O)N(CC)CC.
What is the InChIKey of 4-amino-N,N-diethyl-3-[2-methylpropyl(pentan-3-yl)amino]butanamide?
The InChIKey is FZGIWCJFBUYCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O/c1-7-15(8-2)20(13-14(5)6)16(12-18)11-17(21)19(9-3)10-4/h14-16H,7-13,18H2,1-6H3.
What are the key properties of 4-amino-N,N-diethyl-3-[2-methylpropyl(pentan-3-yl)amino]butanamide?
4-amino-N,N-diethyl-3-[2-methylpropyl(pentan-3-yl)amino]butanamide has a molecular weight of 299.50 g/mol, XLogP of 2.72, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-diethyl-3-[2-methylpropyl(pentan-3-yl)amino]butanamide is sourced from PubChem (CID 79490448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).