N,3-dimethyl-3-(3-methylbutan-2-yl)cyclopentan-1-amine

C12H25N — CID 130729793

IUPACN,3-dimethyl-3-(3-methylbutan-2-yl)cyclopentan-1-amine
SMILESCNC1CCC(C)(C(C)C(C)C)C1
InChIInChI=1S/C12H25N/c1-9(2)10(3)12(4)7-6-11(8-12)13-5/h9-11,13H,6-8H2,1-5H3
InChIKeyXJIQUEPTCMIMJJ-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.06
Rot. Bonds3

About N,3-dimethyl-3-(3-methylbutan-2-yl)cyclopentan-1-amine

N,3-dimethyl-3-(3-methylbutan-2-yl)cyclopentan-1-amine (PubChem CID 130729793) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N,3-dimethyl-3-(3-methylbutan-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-3-(3-methylbutan-2-yl)cyclopentan-1-amine
PubChem CID130729793
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN,3-dimethyl-3-(3-methylbutan-2-yl)cyclopentan-1-amine
SMILESCNC1CCC(C)(C(C)C(C)C)C1
InChIInChI=1S/C12H25N/c1-9(2)10(3)12(4)7-6-11(8-12)13-5/h9-11,13H,6-8H2,1-5H3
InChIKeyXJIQUEPTCMIMJJ-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-3-(3-methylbutan-2-yl)cyclopentan-1-amine?
The IUPAC name of N,3-dimethyl-3-(3-methylbutan-2-yl)cyclopentan-1-amine (CID 130729793) is N,3-dimethyl-3-(3-methylbutan-2-yl)cyclopentan-1-amine.
What is the SMILES notation for N,3-dimethyl-3-(3-methylbutan-2-yl)cyclopentan-1-amine?
The canonical SMILES for N,3-dimethyl-3-(3-methylbutan-2-yl)cyclopentan-1-amine is CNC1CCC(C)(C(C)C(C)C)C1.
What is the InChIKey of N,3-dimethyl-3-(3-methylbutan-2-yl)cyclopentan-1-amine?
The InChIKey is XJIQUEPTCMIMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-9(2)10(3)12(4)7-6-11(8-12)13-5/h9-11,13H,6-8H2,1-5H3.
What are the key properties of N,3-dimethyl-3-(3-methylbutan-2-yl)cyclopentan-1-amine?
N,3-dimethyl-3-(3-methylbutan-2-yl)cyclopentan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-3-(3-methylbutan-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 130729793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).