2-(1-aminocyclobutyl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide

C15H31N3O — CID 79854632

IUPAC2-(1-aminocyclobutyl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide
SMILESCCC(CC)C(CNC(=O)CC1(N)CCC1)N(C)C
InChIInChI=1S/C15H31N3O/c1-5-12(6-2)13(18(3)4)11-17-14(19)10-15(16)8-7-9-15/h12-13H,5-11,16H2,1-4H3,(H,17,19)
InChIKeyLEEKUZJDRDHPPT-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.74
Rot. Bonds8

About 2-(1-aminocyclobutyl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide

2-(1-aminocyclobutyl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide (PubChem CID 79854632) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide
PubChem CID79854632
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-(1-aminocyclobutyl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide
SMILESCCC(CC)C(CNC(=O)CC1(N)CCC1)N(C)C
InChIInChI=1S/C15H31N3O/c1-5-12(6-2)13(18(3)4)11-17-14(19)10-15(16)8-7-9-15/h12-13H,5-11,16H2,1-4H3,(H,17,19)
InChIKeyLEEKUZJDRDHPPT-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclobutyl)-N-(2,2-diethoxyethyl)acetamide
CID 79853724
2-(1-aminocyclohexyl)-N-(2-methylbutyl)acetamide
CID 64678530
methyl 3-[[2-(1-aminocyclobutyl)acetyl]amino]-2-hydroxypropanoate
CID 107222781
2-(1-aminocyclobutyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 79854232
2-(1-aminocyclobutyl)-N-[2-(dimethylamino)-2-methylpropyl]acetamide
CID 79854548
2-(1-aminocyclobutyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 103810631
2-(1-aminocyclobutyl)-N-[2-(dimethylcarbamoylamino)ethyl]acetamide
CID 83112019
N-[2-(dimethylamino)-3-ethylpentyl]-4-hydroxypentanamide
CID 79200682
2-(1-aminocyclopentyl)-N-(3-ethylpentan-2-yl)acetamide
CID 64676880
2-(1-aminocyclohexyl)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 113492226
3-[[2-(1-aminocyclohexyl)acetyl]amino]-2-methoxypropanoic acid
CID 106108885
N-[2-(dimethylamino)-3-ethylpentyl]-2-(2-methoxyethylamino)acetamide
CID 79280648

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide (CID 79854632) is 2-(1-aminocyclobutyl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide is CCC(CC)C(CNC(=O)CC1(N)CCC1)N(C)C.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide?
The InChIKey is LEEKUZJDRDHPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-12(6-2)13(18(3)4)11-17-14(19)10-15(16)8-7-9-15/h12-13H,5-11,16H2,1-4H3,(H,17,19).
What are the key properties of 2-(1-aminocyclobutyl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide?
2-(1-aminocyclobutyl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide has a molecular weight of 269.43 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide is sourced from PubChem (CID 79854632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).