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

C15H33N3O — CID 66431686

IUPAC4-amino-N,N-diethyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide
SMILESCCN(CC)C(=O)CC(CN)N(CC(C)C)C(C)C
InChIInChI=1S/C15H33N3O/c1-7-17(8-2)15(19)9-14(10-16)18(13(5)6)11-12(3)4/h12-14H,7-11,16H2,1-6H3
InChIKeyODZWHQVQMZDUAH-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.94
Rot. Bonds9

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

4-amino-N,N-diethyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide (PubChem CID 66431686) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 4-amino-N,N-diethyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide.

Molecular Properties

Compound Name4-amino-N,N-diethyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide
PubChem CID66431686
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name4-amino-N,N-diethyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide
SMILESCCN(CC)C(=O)CC(CN)N(CC(C)C)C(C)C
InChIInChI=1S/C15H33N3O/c1-7-17(8-2)15(19)9-14(10-16)18(13(5)6)11-12(3)4/h12-14H,7-11,16H2,1-6H3
InChIKeyODZWHQVQMZDUAH-UHFFFAOYSA-N
XLogP1.94
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-diethyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide?
The IUPAC name of 4-amino-N,N-diethyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide (CID 66431686) is 4-amino-N,N-diethyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide.
What is the SMILES notation for 4-amino-N,N-diethyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide?
The canonical SMILES for 4-amino-N,N-diethyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide is CCN(CC)C(=O)CC(CN)N(CC(C)C)C(C)C.
What is the InChIKey of 4-amino-N,N-diethyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide?
The InChIKey is ODZWHQVQMZDUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-7-17(8-2)15(19)9-14(10-16)18(13(5)6)11-12(3)4/h12-14H,7-11,16H2,1-6H3.
What are the key properties of 4-amino-N,N-diethyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide?
4-amino-N,N-diethyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide has a molecular weight of 271.45 g/mol, XLogP of 1.94, 9 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(propan-2-yl)amino]butanamide is sourced from PubChem (CID 66431686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).