1-amino-2-(2-butoxyethyl)cyclopentane-1-carboxamide

C12H24N2O2 — CID 79588205

IUPAC1-amino-2-(2-butoxyethyl)cyclopentane-1-carboxamide
SMILESCCCCOCCC1CCCC1(N)C(N)=O
InChIInChI=1S/C12H24N2O2/c1-2-3-8-16-9-6-10-5-4-7-12(10,14)11(13)15/h10H,2-9,14H2,1H3,(H2,13,15)
InChIKeyVJJOOVMKTUYYRU-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.18
Rot. Bonds7

About 1-amino-2-(2-butoxyethyl)cyclopentane-1-carboxamide

1-amino-2-(2-butoxyethyl)cyclopentane-1-carboxamide (PubChem CID 79588205) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-amino-2-(2-butoxyethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-2-(2-butoxyethyl)cyclopentane-1-carboxamide
PubChem CID79588205
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-amino-2-(2-butoxyethyl)cyclopentane-1-carboxamide
SMILESCCCCOCCC1CCCC1(N)C(N)=O
InChIInChI=1S/C12H24N2O2/c1-2-3-8-16-9-6-10-5-4-7-12(10,14)11(13)15/h10H,2-9,14H2,1H3,(H2,13,15)
InChIKeyVJJOOVMKTUYYRU-UHFFFAOYSA-N
XLogP1.18
TPSA78.34 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 ≤ 51.18
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-amino-2-(2-heptoxyethyl)cyclopentane-1-carboxamide
CID 79571750
1-amino-2-[2-(2-propoxyethoxy)ethyl]cyclopentane-1-carboxamide
CID 79588401
1-amino-2-[2-(2-butoxyethoxy)ethyl]cyclopentane-1-carboxylic acid
CID 79571683
1-amino-2-(2-octoxyethyl)cyclopentane-1-carboxylic acid
CID 79571531
2-(2-butoxyethyl)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79586499
1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxamide
CID 79587862
1-amino-2-(2-propan-2-yloxyethyl)cyclopentane-1-carboxamide
CID 79581080
1-amino-2-(2-butan-2-yloxyethyl)cyclopentane-1-carboxamide
CID 79586651
ethyl 1-amino-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carboxylate
CID 79581836
1-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxamide
CID 79577891
1-amino-2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 79588085
2-[2-(2-methoxyethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79581463

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-butoxyethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-2-(2-butoxyethyl)cyclopentane-1-carboxamide (CID 79588205) is 1-amino-2-(2-butoxyethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-2-(2-butoxyethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-2-(2-butoxyethyl)cyclopentane-1-carboxamide is CCCCOCCC1CCCC1(N)C(N)=O.
What is the InChIKey of 1-amino-2-(2-butoxyethyl)cyclopentane-1-carboxamide?
The InChIKey is VJJOOVMKTUYYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-3-8-16-9-6-10-5-4-7-12(10,14)11(13)15/h10H,2-9,14H2,1H3,(H2,13,15).
What are the key properties of 1-amino-2-(2-butoxyethyl)cyclopentane-1-carboxamide?
1-amino-2-(2-butoxyethyl)cyclopentane-1-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-butoxyethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 79588205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).