cyclopentyl formate;4-(2,2-dimethylpropoxy)butan-2-amine

C15H31NO3 — CID 143664365

IUPACcyclopentyl formate;4-(2,2-dimethylpropoxy)butan-2-amine
SMILESCC(N)CCOCC(C)(C)C.O=COC1CCCC1
InChIInChI=1S/C9H21NO.C6H10O2/c1-8(10)5-6-11-7-9(2,3)4;7-5-8-6-3-1-2-4-6/h8H,5-7,10H2,1-4H3;5-6H,1-4H2
InChIKeySQYWEVKHKRRLPU-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.89
Rot. Bonds6

About cyclopentyl formate;4-(2,2-dimethylpropoxy)butan-2-amine

cyclopentyl formate;4-(2,2-dimethylpropoxy)butan-2-amine (PubChem CID 143664365) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is cyclopentyl formate;4-(2,2-dimethylpropoxy)butan-2-amine.

Molecular Properties

Compound Namecyclopentyl formate;4-(2,2-dimethylpropoxy)butan-2-amine
PubChem CID143664365
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Namecyclopentyl formate;4-(2,2-dimethylpropoxy)butan-2-amine
SMILESCC(N)CCOCC(C)(C)C.O=COC1CCCC1
InChIInChI=1S/C9H21NO.C6H10O2/c1-8(10)5-6-11-7-9(2,3)4;7-5-8-6-3-1-2-4-6/h8H,5-7,10H2,1-4H3;5-6H,1-4H2
InChIKeySQYWEVKHKRRLPU-UHFFFAOYSA-N
XLogP2.89
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl formate;4-(2,2-dimethylpropoxy)butan-2-amine?
The IUPAC name of cyclopentyl formate;4-(2,2-dimethylpropoxy)butan-2-amine (CID 143664365) is cyclopentyl formate;4-(2,2-dimethylpropoxy)butan-2-amine.
What is the SMILES notation for cyclopentyl formate;4-(2,2-dimethylpropoxy)butan-2-amine?
The canonical SMILES for cyclopentyl formate;4-(2,2-dimethylpropoxy)butan-2-amine is CC(N)CCOCC(C)(C)C.O=COC1CCCC1.
What is the InChIKey of cyclopentyl formate;4-(2,2-dimethylpropoxy)butan-2-amine?
The InChIKey is SQYWEVKHKRRLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO.C6H10O2/c1-8(10)5-6-11-7-9(2,3)4;7-5-8-6-3-1-2-4-6/h8H,5-7,10H2,1-4H3;5-6H,1-4H2.
What are the key properties of cyclopentyl formate;4-(2,2-dimethylpropoxy)butan-2-amine?
cyclopentyl formate;4-(2,2-dimethylpropoxy)butan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl formate;4-(2,2-dimethylpropoxy)butan-2-amine is sourced from PubChem (CID 143664365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).