2-[1-(aminomethyl)cyclobutyl]-N-(4-propan-2-yloxybutyl)acetamide

C14H28N2O2 — CID 114137021

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(4-propan-2-yloxybutyl)acetamide
SMILESCC(C)OCCCCNC(=O)CC1(CN)CCC1
InChIInChI=1S/C14H28N2O2/c1-12(2)18-9-4-3-8-16-13(17)10-14(11-15)6-5-7-14/h12H,3-11,15H2,1-2H3,(H,16,17)
InChIKeyDGJZPJYLTLLGRB-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.83
Rot. Bonds9

About 2-[1-(aminomethyl)cyclobutyl]-N-(4-propan-2-yloxybutyl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(4-propan-2-yloxybutyl)acetamide (PubChem CID 114137021) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(4-propan-2-yloxybutyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(4-propan-2-yloxybutyl)acetamide
PubChem CID114137021
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(4-propan-2-yloxybutyl)acetamide
SMILESCC(C)OCCCCNC(=O)CC1(CN)CCC1
InChIInChI=1S/C14H28N2O2/c1-12(2)18-9-4-3-8-16-13(17)10-14(11-15)6-5-7-14/h12H,3-11,15H2,1-2H3,(H,16,17)
InChIKeyDGJZPJYLTLLGRB-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.83
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

2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide
CID 81171928
1-amino-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide
CID 106011328
2-[1-(aminomethyl)cyclobutyl]-N-(3-hydroxybutyl)acetamide
CID 81168821
ethyl 4-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]butanoate
CID 81168194
1-(aminomethyl)-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
CID 106011493
2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide
CID 104677967
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide
CID 82680747
2-[1-(aminomethyl)cyclohexyl]-N-[4-(dimethylamino)butyl]acetamide
CID 104678084
2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide
CID 83110025
2-chloro-N-(4-propan-2-yloxybutyl)acetamide
CID 82109645
1-(4-propan-2-yloxybutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 106005703
2-[1-(aminomethyl)cyclohexyl]-N-(3-methylsulfanylpropyl)acetamide
CID 59780090

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(4-propan-2-yloxybutyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(4-propan-2-yloxybutyl)acetamide (CID 114137021) is 2-[1-(aminomethyl)cyclobutyl]-N-(4-propan-2-yloxybutyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(4-propan-2-yloxybutyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(4-propan-2-yloxybutyl)acetamide is CC(C)OCCCCNC(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(4-propan-2-yloxybutyl)acetamide?
The InChIKey is DGJZPJYLTLLGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(2)18-9-4-3-8-16-13(17)10-14(11-15)6-5-7-14/h12H,3-11,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(4-propan-2-yloxybutyl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(4-propan-2-yloxybutyl)acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(4-propan-2-yloxybutyl)acetamide is sourced from PubChem (CID 114137021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).