N-tert-butyl-2-[[1-(dimethylamino)cyclobutyl]methylamino]propanamide

C14H29N3O — CID 105416383

IUPACN-tert-butyl-2-[[1-(dimethylamino)cyclobutyl]methylamino]propanamide
SMILESCC(NCC1(N(C)C)CCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H29N3O/c1-11(12(18)16-13(2,3)4)15-10-14(17(5)6)8-7-9-14/h11,15H,7-10H2,1-6H3,(H,16,18)
InChIKeyLQRDTNVAEVZUEH-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.36
Rot. Bonds5

About N-tert-butyl-2-[[1-(dimethylamino)cyclobutyl]methylamino]propanamide

N-tert-butyl-2-[[1-(dimethylamino)cyclobutyl]methylamino]propanamide (PubChem CID 105416383) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-tert-butyl-2-[[1-(dimethylamino)cyclobutyl]methylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[1-(dimethylamino)cyclobutyl]methylamino]propanamide
PubChem CID105416383
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-tert-butyl-2-[[1-(dimethylamino)cyclobutyl]methylamino]propanamide
SMILESCC(NCC1(N(C)C)CCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H29N3O/c1-11(12(18)16-13(2,3)4)15-10-14(17(5)6)8-7-9-14/h11,15H,7-10H2,1-6H3,(H,16,18)
InChIKeyLQRDTNVAEVZUEH-UHFFFAOYSA-N
XLogP1.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 83121707
2-[[1-(dimethylamino)cyclobutyl]methylamino]-N,N-dimethylpropanamide
CID 105416686
N-tert-butyl-2-[(1-ethylcyclobutyl)methylamino]propanamide
CID 113252651
methyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate
CID 83107449
ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate
CID 83121065
N-tert-butyl-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanamide
CID 65116446
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide
CID 107034071
2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(furan-2-ylmethyl)propanamide
CID 78915193
(2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide
CID 105417333
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethylpropanamide
CID 105420633
N-tert-butyl-2-[[2-(dimethylamino)-2-methylpropyl]amino]propanamide
CID 54940320

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[1-(dimethylamino)cyclobutyl]methylamino]propanamide?
The IUPAC name of N-tert-butyl-2-[[1-(dimethylamino)cyclobutyl]methylamino]propanamide (CID 105416383) is N-tert-butyl-2-[[1-(dimethylamino)cyclobutyl]methylamino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[1-(dimethylamino)cyclobutyl]methylamino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[1-(dimethylamino)cyclobutyl]methylamino]propanamide is CC(NCC1(N(C)C)CCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[1-(dimethylamino)cyclobutyl]methylamino]propanamide?
The InChIKey is LQRDTNVAEVZUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(12(18)16-13(2,3)4)15-10-14(17(5)6)8-7-9-14/h11,15H,7-10H2,1-6H3,(H,16,18).
What are the key properties of N-tert-butyl-2-[[1-(dimethylamino)cyclobutyl]methylamino]propanamide?
N-tert-butyl-2-[[1-(dimethylamino)cyclobutyl]methylamino]propanamide has a molecular weight of 255.41 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[1-(dimethylamino)cyclobutyl]methylamino]propanamide is sourced from PubChem (CID 105416383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).