ethane;N-(2-ethoxyethyl)-3-methylcyclopentan-1-amine

C12H27NO — CID 144507477

IUPACethane;N-(2-ethoxyethyl)-3-methylcyclopentan-1-amine
SMILESCC.CCOCCNC1CCC(C)C1
InChIInChI=1S/C10H21NO.C2H6/c1-3-12-7-6-11-10-5-4-9(2)8-10;1-2/h9-11H,3-8H2,1-2H3;1-2H3
InChIKeyVMGWSBSQRYEAFI-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds5

About ethane;N-(2-ethoxyethyl)-3-methylcyclopentan-1-amine

ethane;N-(2-ethoxyethyl)-3-methylcyclopentan-1-amine (PubChem CID 144507477) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is ethane;N-(2-ethoxyethyl)-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Nameethane;N-(2-ethoxyethyl)-3-methylcyclopentan-1-amine
PubChem CID144507477
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Nameethane;N-(2-ethoxyethyl)-3-methylcyclopentan-1-amine
SMILESCC.CCOCCNC1CCC(C)C1
InChIInChI=1S/C10H21NO.C2H6/c1-3-12-7-6-11-10-5-4-9(2)8-10;1-2/h9-11H,3-8H2,1-2H3;1-2H3
InChIKeyVMGWSBSQRYEAFI-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.83
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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Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-ethoxyethyl)-3-methylcyclopentan-1-amine?
The IUPAC name of ethane;N-(2-ethoxyethyl)-3-methylcyclopentan-1-amine (CID 144507477) is ethane;N-(2-ethoxyethyl)-3-methylcyclopentan-1-amine.
What is the SMILES notation for ethane;N-(2-ethoxyethyl)-3-methylcyclopentan-1-amine?
The canonical SMILES for ethane;N-(2-ethoxyethyl)-3-methylcyclopentan-1-amine is CC.CCOCCNC1CCC(C)C1.
What is the InChIKey of ethane;N-(2-ethoxyethyl)-3-methylcyclopentan-1-amine?
The InChIKey is VMGWSBSQRYEAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C2H6/c1-3-12-7-6-11-10-5-4-9(2)8-10;1-2/h9-11H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;N-(2-ethoxyethyl)-3-methylcyclopentan-1-amine?
ethane;N-(2-ethoxyethyl)-3-methylcyclopentan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-ethoxyethyl)-3-methylcyclopentan-1-amine is sourced from PubChem (CID 144507477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).