5-butoxy-N,2,2-trimethylcyclopentan-1-amine

C12H25NO — CID 79857081

IUPAC5-butoxy-N,2,2-trimethylcyclopentan-1-amine
SMILESCCCCOC1CCC(C)(C)C1NC
InChIInChI=1S/C12H25NO/c1-5-6-9-14-10-7-8-12(2,3)11(10)13-4/h10-11,13H,5-9H2,1-4H3
InChIKeyPCIZATWCALGPOH-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds5

About 5-butoxy-N,2,2-trimethylcyclopentan-1-amine

5-butoxy-N,2,2-trimethylcyclopentan-1-amine (PubChem CID 79857081) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 5-butoxy-N,2,2-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-butoxy-N,2,2-trimethylcyclopentan-1-amine
PubChem CID79857081
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name5-butoxy-N,2,2-trimethylcyclopentan-1-amine
SMILESCCCCOC1CCC(C)(C)C1NC
InChIInChI=1S/C12H25NO/c1-5-6-9-14-10-7-8-12(2,3)11(10)13-4/h10-11,13H,5-9H2,1-4H3
InChIKeyPCIZATWCALGPOH-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2,2-trimethyl-5-(2-propoxyethoxy)cyclopentan-1-amine
CID 79856528
5-ethoxy-N,2,2-trimethylcyclopentan-1-amine
CID 79859712
5-(3-methoxy-3-methylbutoxy)-N,2,2-trimethylcyclopentan-1-amine
CID 106665417
N,2,2-trimethyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopentan-1-amine
CID 112587342
N,2,2-trimethyl-5-(2-propan-2-yloxyethoxy)cyclopentan-1-amine
CID 79856249
2,2-dimethyl-N-propyl-5-(4,4,4-trifluorobutoxy)cyclopentan-1-amine
CID 82789739
N-ethyl-6-heptoxy-2,2-dimethylcyclohexan-1-amine
CID 79835866
N-ethyl-2,2-dimethyl-5-(3-methylbutoxy)cyclopentan-1-amine
CID 79856244
N,2,2-trimethyl-5-(oxolan-3-ylmethoxy)cyclopentan-1-amine
CID 79856400
N,2,2-trimethyl-6-(2-methylpentoxy)cyclohexan-1-amine
CID 103283512
1-N,1-N-dibutyl-2-N,3,3-trimethylcyclopentane-1,2-diamine
CID 79864029
1,2-dibutoxycyclohexane
CID 24962665

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-N,2,2-trimethylcyclopentan-1-amine?
The IUPAC name of 5-butoxy-N,2,2-trimethylcyclopentan-1-amine (CID 79857081) is 5-butoxy-N,2,2-trimethylcyclopentan-1-amine.
What is the SMILES notation for 5-butoxy-N,2,2-trimethylcyclopentan-1-amine?
The canonical SMILES for 5-butoxy-N,2,2-trimethylcyclopentan-1-amine is CCCCOC1CCC(C)(C)C1NC.
What is the InChIKey of 5-butoxy-N,2,2-trimethylcyclopentan-1-amine?
The InChIKey is PCIZATWCALGPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-6-9-14-10-7-8-12(2,3)11(10)13-4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 5-butoxy-N,2,2-trimethylcyclopentan-1-amine?
5-butoxy-N,2,2-trimethylcyclopentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-N,2,2-trimethylcyclopentan-1-amine is sourced from PubChem (CID 79857081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).