4-amino-N-tert-butyl-3-[methyl(oxan-2-ylmethyl)amino]butanamide

C15H31N3O2 — CID 66432458

IUPAC4-amino-N-tert-butyl-3-[methyl(oxan-2-ylmethyl)amino]butanamide
SMILESCN(CC1CCCCO1)C(CN)CC(=O)NC(C)(C)C
InChIInChI=1S/C15H31N3O2/c1-15(2,3)17-14(19)9-12(10-16)18(4)11-13-7-5-6-8-20-13/h12-13H,5-11,16H2,1-4H3,(H,17,19)
InChIKeyNGTLQDYZDKWPMG-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.12
Rot. Bonds6

About 4-amino-N-tert-butyl-3-[methyl(oxan-2-ylmethyl)amino]butanamide

4-amino-N-tert-butyl-3-[methyl(oxan-2-ylmethyl)amino]butanamide (PubChem CID 66432458) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-3-[methyl(oxan-2-ylmethyl)amino]butanamide.

Molecular Properties

Compound Name4-amino-N-tert-butyl-3-[methyl(oxan-2-ylmethyl)amino]butanamide
PubChem CID66432458
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name4-amino-N-tert-butyl-3-[methyl(oxan-2-ylmethyl)amino]butanamide
SMILESCN(CC1CCCCO1)C(CN)CC(=O)NC(C)(C)C
InChIInChI=1S/C15H31N3O2/c1-15(2,3)17-14(19)9-12(10-16)18(4)11-13-7-5-6-8-20-13/h12-13H,5-11,16H2,1-4H3,(H,17,19)
InChIKeyNGTLQDYZDKWPMG-UHFFFAOYSA-N
XLogP1.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-tert-butyl-3-[cycloheptyl(methyl)amino]butanamide
CID 66430006
4-amino-N-tert-butyl-3-[methyl(oxan-4-yl)amino]butanamide
CID 66430004
N-tert-butyl-2-(oxan-2-ylmethylamino)acetamide
CID 60697952
4-amino-N-tert-butyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanamide
CID 105414000
4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylbutanamide
CID 66427136
2-methyl-2-(methylamino)-4-[methyl(oxan-2-ylmethyl)amino]pentanamide
CID 64711413
2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine
CID 61431425
1-cyclopentyl-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 55034714
3-amino-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61436031
2-N-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
CID 61431468
3-methyl-3-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 64701256
N-(2-methylbutan-2-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825153

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butyl-3-[methyl(oxan-2-ylmethyl)amino]butanamide?
The IUPAC name of 4-amino-N-tert-butyl-3-[methyl(oxan-2-ylmethyl)amino]butanamide (CID 66432458) is 4-amino-N-tert-butyl-3-[methyl(oxan-2-ylmethyl)amino]butanamide.
What is the SMILES notation for 4-amino-N-tert-butyl-3-[methyl(oxan-2-ylmethyl)amino]butanamide?
The canonical SMILES for 4-amino-N-tert-butyl-3-[methyl(oxan-2-ylmethyl)amino]butanamide is CN(CC1CCCCO1)C(CN)CC(=O)NC(C)(C)C.
What is the InChIKey of 4-amino-N-tert-butyl-3-[methyl(oxan-2-ylmethyl)amino]butanamide?
The InChIKey is NGTLQDYZDKWPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-15(2,3)17-14(19)9-12(10-16)18(4)11-13-7-5-6-8-20-13/h12-13H,5-11,16H2,1-4H3,(H,17,19).
What are the key properties of 4-amino-N-tert-butyl-3-[methyl(oxan-2-ylmethyl)amino]butanamide?
4-amino-N-tert-butyl-3-[methyl(oxan-2-ylmethyl)amino]butanamide has a molecular weight of 285.43 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butyl-3-[methyl(oxan-2-ylmethyl)amino]butanamide is sourced from PubChem (CID 66432458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).