4-amino-N-tert-butyl-3-[methyl(propyl)amino]butanamide

C12H27N3O — CID 66431224

IUPAC4-amino-N-tert-butyl-3-[methyl(propyl)amino]butanamide
SMILESCCCN(C)C(CN)CC(=O)NC(C)(C)C
InChIInChI=1S/C12H27N3O/c1-6-7-15(5)10(9-13)8-11(16)14-12(2,3)4/h10H,6-9,13H2,1-5H3,(H,14,16)
InChIKeyMRZMZKWWHSYOCU-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.96
Rot. Bonds6

About 4-amino-N-tert-butyl-3-[methyl(propyl)amino]butanamide

4-amino-N-tert-butyl-3-[methyl(propyl)amino]butanamide (PubChem CID 66431224) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-3-[methyl(propyl)amino]butanamide.

Molecular Properties

Compound Name4-amino-N-tert-butyl-3-[methyl(propyl)amino]butanamide
PubChem CID66431224
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name4-amino-N-tert-butyl-3-[methyl(propyl)amino]butanamide
SMILESCCCN(C)C(CN)CC(=O)NC(C)(C)C
InChIInChI=1S/C12H27N3O/c1-6-7-15(5)10(9-13)8-11(16)14-12(2,3)4/h10H,6-9,13H2,1-5H3,(H,14,16)
InChIKeyMRZMZKWWHSYOCU-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-methyl-3-[methyl(propyl)amino]butanamide
CID 66426282
4-amino-N-tert-butyl-3-[methyl(2-pyridin-4-ylethyl)amino]butanamide
CID 66430410
4-amino-N-tert-butyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanamide
CID 105414000
4-amino-N-tert-butyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]butanamide
CID 103188107
4-amino-N-tert-butyl-3-[furan-3-ylmethyl(methyl)amino]butanamide
CID 66431838
4-amino-N-tert-butyl-3-[2-methoxyethyl(propan-2-yl)amino]butanamide
CID 82948851
4-amino-N-tert-butyl-3-[cycloheptyl(methyl)amino]butanamide
CID 66430006
4-amino-N-tert-butyl-3-[methyl(oxan-2-ylmethyl)amino]butanamide
CID 66432458
4-amino-N-tert-butyl-3-[cyclopropylmethyl(ethyl)amino]butanamide
CID 66432868
4-amino-N-tert-butyl-3-[methyl(oxan-4-yl)amino]butanamide
CID 66430004
4-amino-N-tert-butyl-3-methylbutanamide
CID 81071972
4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-propan-2-ylbutanamide
CID 66430981

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butyl-3-[methyl(propyl)amino]butanamide?
The IUPAC name of 4-amino-N-tert-butyl-3-[methyl(propyl)amino]butanamide (CID 66431224) is 4-amino-N-tert-butyl-3-[methyl(propyl)amino]butanamide.
What is the SMILES notation for 4-amino-N-tert-butyl-3-[methyl(propyl)amino]butanamide?
The canonical SMILES for 4-amino-N-tert-butyl-3-[methyl(propyl)amino]butanamide is CCCN(C)C(CN)CC(=O)NC(C)(C)C.
What is the InChIKey of 4-amino-N-tert-butyl-3-[methyl(propyl)amino]butanamide?
The InChIKey is MRZMZKWWHSYOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-6-7-15(5)10(9-13)8-11(16)14-12(2,3)4/h10H,6-9,13H2,1-5H3,(H,14,16).
What are the key properties of 4-amino-N-tert-butyl-3-[methyl(propyl)amino]butanamide?
4-amino-N-tert-butyl-3-[methyl(propyl)amino]butanamide has a molecular weight of 229.37 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butyl-3-[methyl(propyl)amino]butanamide is sourced from PubChem (CID 66431224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).