4-amino-N-tert-butyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanamide

C16H34N4O — CID 105414000

IUPAC4-amino-N-tert-butyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanamide
SMILESCN(CC1(N(C)C)CCC1)C(CN)CC(=O)NC(C)(C)C
InChIInChI=1S/C16H34N4O/c1-15(2,3)18-14(21)10-13(11-17)20(6)12-16(19(4)5)8-7-9-16/h13H,7-12,17H2,1-6H3,(H,18,21)
InChIKeyAKEVXOFFVMUFAT-UHFFFAOYSA-N
MW298.47 g/mol
LogP1.03
Rot. Bonds7

About 4-amino-N-tert-butyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanamide

4-amino-N-tert-butyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanamide (PubChem CID 105414000) has the molecular formula C16H34N4O and a molecular weight of 298.47 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanamide.

Molecular Properties

Compound Name4-amino-N-tert-butyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanamide
PubChem CID105414000
Molecular FormulaC16H34N4O
Molecular Weight298.47 g/mol
Exact Mass298.27
IUPAC Name4-amino-N-tert-butyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanamide
SMILESCN(CC1(N(C)C)CCC1)C(CN)CC(=O)NC(C)(C)C
InChIInChI=1S/C16H34N4O/c1-15(2,3)18-14(21)10-13(11-17)20(6)12-16(19(4)5)8-7-9-16/h13H,7-12,17H2,1-6H3,(H,18,21)
InChIKeyAKEVXOFFVMUFAT-UHFFFAOYSA-N
XLogP1.03
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-tert-butyl-3-[methyl(propyl)amino]butanamide
CID 66431224
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-[furan-3-ylmethyl(methyl)amino]butanamide
CID 66431838
4-amino-N-tert-butyl-3-[methyl(2-pyridin-4-ylethyl)amino]butanamide
CID 66430410
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propanamide
CID 105416404
4-amino-N-tert-butyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]butanamide
CID 103188107
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pentanehydrazide
CID 105418482
4-amino-N-tert-butyl-3-[methyl(oxan-4-yl)amino]butanamide
CID 66430004
2-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpentanoic acid
CID 105416899
4-amino-N-tert-butyl-3-[cyclopropylmethyl(ethyl)amino]butanamide
CID 66432868
4-amino-N-tert-butyl-3-methylbutanamide
CID 81071972

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanamide?
The IUPAC name of 4-amino-N-tert-butyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanamide (CID 105414000) is 4-amino-N-tert-butyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanamide.
What is the SMILES notation for 4-amino-N-tert-butyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanamide?
The canonical SMILES for 4-amino-N-tert-butyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanamide is CN(CC1(N(C)C)CCC1)C(CN)CC(=O)NC(C)(C)C.
What is the InChIKey of 4-amino-N-tert-butyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanamide?
The InChIKey is AKEVXOFFVMUFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-15(2,3)18-14(21)10-13(11-17)20(6)12-16(19(4)5)8-7-9-16/h13H,7-12,17H2,1-6H3,(H,18,21).
What are the key properties of 4-amino-N-tert-butyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanamide?
4-amino-N-tert-butyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanamide has a molecular weight of 298.47 g/mol, XLogP of 1.03, 7 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-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanamide is sourced from PubChem (CID 105414000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).