1-amino-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide

C12H24N2O2 — CID 106011328

IUPAC1-amino-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide
SMILESCC(C)OCCCCNC(=O)C1(N)CCC1
InChIInChI=1S/C12H24N2O2/c1-10(2)16-9-4-3-8-14-11(15)12(13)6-5-7-12/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyDWESKGNZKBKREU-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.19
Rot. Bonds7

About 1-amino-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide

1-amino-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide (PubChem CID 106011328) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-amino-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide
PubChem CID106011328
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-amino-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide
SMILESCC(C)OCCCCNC(=O)C1(N)CCC1
InChIInChI=1S/C12H24N2O2/c1-10(2)16-9-4-3-8-14-11(15)12(13)6-5-7-12/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyDWESKGNZKBKREU-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-propan-2-yloxybutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 106005703
1-amino-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide
CID 104761182
1-(aminomethyl)-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
CID 106011493
1-amino-N-[4-(2-methoxyethoxy)butyl]cyclobutane-1-carboxamide
CID 113463827
1-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide
CID 81172040
1-amino-N-pentylcyclobutane-1-carboxamide
CID 81167514
2-[1-(aminomethyl)cyclobutyl]-N-(4-propan-2-yloxybutyl)acetamide
CID 114137021
1-amino-N-(3-methylbutyl)cyclobutane-1-carboxamide
CID 81167864
1-[(4-propan-2-yloxybutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 106004382
1-amino-N-(3-hydroxypropyl)cyclobutane-1-carboxamide
CID 81179934
N-(4-propan-2-yloxybutyl)-2-propylpyrrolidine-2-carboxamide
CID 106011154
(2R)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011533

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide (CID 106011328) is 1-amino-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide is CC(C)OCCCCNC(=O)C1(N)CCC1.
What is the InChIKey of 1-amino-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide?
The InChIKey is DWESKGNZKBKREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)16-9-4-3-8-14-11(15)12(13)6-5-7-12/h10H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of 1-amino-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide?
1-amino-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 106011328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).