3-amino-N-butan-2-yl-N-butyl-2,2,3-trimethylbutanamide

C15H32N2O — CID 65269662

IUPAC3-amino-N-butan-2-yl-N-butyl-2,2,3-trimethylbutanamide
SMILESCCCCN(C(=O)C(C)(C)C(C)(C)N)C(C)CC
InChIInChI=1S/C15H32N2O/c1-8-10-11-17(12(3)9-2)13(18)14(4,5)15(6,7)16/h12H,8-11,16H2,1-7H3
InChIKeyZYQBGQALAYXSFQ-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.18
Rot. Bonds7

About 3-amino-N-butan-2-yl-N-butyl-2,2,3-trimethylbutanamide

3-amino-N-butan-2-yl-N-butyl-2,2,3-trimethylbutanamide (PubChem CID 65269662) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-amino-N-butan-2-yl-N-butyl-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-butan-2-yl-N-butyl-2,2,3-trimethylbutanamide
PubChem CID65269662
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3-amino-N-butan-2-yl-N-butyl-2,2,3-trimethylbutanamide
SMILESCCCCN(C(=O)C(C)(C)C(C)(C)N)C(C)CC
InChIInChI=1S/C15H32N2O/c1-8-10-11-17(12(3)9-2)13(18)14(4,5)15(6,7)16/h12H,8-11,16H2,1-7H3
InChIKeyZYQBGQALAYXSFQ-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 65269424
3-amino-2,2,3-trimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 65269472
3-amino-N,2,2,3-tetramethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 65269504
3-amino-N-ethyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 65269649
3-amino-2,2,3-trimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 65269666
3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 65269695
3-amino-N-butyl-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 65269952
3-amino-2,2,3-trimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 65269998
3-amino-N,2,2,3-tetramethyl-N-(3,3,3-trifluoropropyl)butanamide
CID 65537593
3-amino-2,2,3-trimethyl-N-(4,4,4-trifluorobutan-2-yl)butanamide
CID 105937543
3-amino-N-(2,2-difluoroethyl)-N,2,2,3-tetramethylbutanamide
CID 116314856
3-(Diethylamino)-3-methylbutanamide
CID 18792212

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-yl-N-butyl-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-butan-2-yl-N-butyl-2,2,3-trimethylbutanamide (CID 65269662) is 3-amino-N-butan-2-yl-N-butyl-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-butan-2-yl-N-butyl-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-butan-2-yl-N-butyl-2,2,3-trimethylbutanamide is CCCCN(C(=O)C(C)(C)C(C)(C)N)C(C)CC.
What is the InChIKey of 3-amino-N-butan-2-yl-N-butyl-2,2,3-trimethylbutanamide?
The InChIKey is ZYQBGQALAYXSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-8-10-11-17(12(3)9-2)13(18)14(4,5)15(6,7)16/h12H,8-11,16H2,1-7H3.
What are the key properties of 3-amino-N-butan-2-yl-N-butyl-2,2,3-trimethylbutanamide?
3-amino-N-butan-2-yl-N-butyl-2,2,3-trimethylbutanamide has a molecular weight of 256.43 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butan-2-yl-N-butyl-2,2,3-trimethylbutanamide is sourced from PubChem (CID 65269662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).