2-butan-2-yl-3-ethyl-5-methylcyclopentan-1-amine

C12H25N — CID 155282268

IUPAC2-butan-2-yl-3-ethyl-5-methylcyclopentan-1-amine
SMILESCCC(C)C1C(CC)CC(C)C1N
InChIInChI=1S/C12H25N/c1-5-8(3)11-10(6-2)7-9(4)12(11)13/h8-12H,5-7,13H2,1-4H3
InChIKeyMCZBVZAOMMLWIG-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.04
Rot. Bonds3

About 2-butan-2-yl-3-ethyl-5-methylcyclopentan-1-amine

2-butan-2-yl-3-ethyl-5-methylcyclopentan-1-amine (PubChem CID 155282268) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2-butan-2-yl-3-ethyl-5-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-butan-2-yl-3-ethyl-5-methylcyclopentan-1-amine
PubChem CID155282268
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2-butan-2-yl-3-ethyl-5-methylcyclopentan-1-amine
SMILESCCC(C)C1C(CC)CC(C)C1N
InChIInChI=1S/C12H25N/c1-5-8(3)11-10(6-2)7-9(4)12(11)13/h8-12H,5-7,13H2,1-4H3
InChIKeyMCZBVZAOMMLWIG-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-3-ethyl-5-methylcyclopentan-1-amine?
The IUPAC name of 2-butan-2-yl-3-ethyl-5-methylcyclopentan-1-amine (CID 155282268) is 2-butan-2-yl-3-ethyl-5-methylcyclopentan-1-amine.
What is the SMILES notation for 2-butan-2-yl-3-ethyl-5-methylcyclopentan-1-amine?
The canonical SMILES for 2-butan-2-yl-3-ethyl-5-methylcyclopentan-1-amine is CCC(C)C1C(CC)CC(C)C1N.
What is the InChIKey of 2-butan-2-yl-3-ethyl-5-methylcyclopentan-1-amine?
The InChIKey is MCZBVZAOMMLWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-8(3)11-10(6-2)7-9(4)12(11)13/h8-12H,5-7,13H2,1-4H3.
What are the key properties of 2-butan-2-yl-3-ethyl-5-methylcyclopentan-1-amine?
2-butan-2-yl-3-ethyl-5-methylcyclopentan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-3-ethyl-5-methylcyclopentan-1-amine is sourced from PubChem (CID 155282268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).