N,3-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine

C17H27N — CID 116539047

IUPACN,3-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
SMILESCNC1CCC(C)(Cc2c(C)cc(C)cc2C)C1
InChIInChI=1S/C17H27N/c1-12-8-13(2)16(14(3)9-12)11-17(4)7-6-15(10-17)18-5/h8-9,15,18H,6-7,10-11H2,1-5H3
InChIKeyMDEBEHJMBZMDMT-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.93
Rot. Bonds3

About N,3-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine

N,3-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine (PubChem CID 116539047) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N,3-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
PubChem CID116539047
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN,3-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
SMILESCNC1CCC(C)(Cc2c(C)cc(C)cc2C)C1
InChIInChI=1S/C17H27N/c1-12-8-13(2)16(14(3)9-12)11-17(4)7-6-15(10-17)18-5/h8-9,15,18H,6-7,10-11H2,1-5H3
InChIKeyMDEBEHJMBZMDMT-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.93
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-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of N,3-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine (CID 116539047) is N,3-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for N,3-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for N,3-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine is CNC1CCC(C)(Cc2c(C)cc(C)cc2C)C1.
What is the InChIKey of N,3-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is MDEBEHJMBZMDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12-8-13(2)16(14(3)9-12)11-17(4)7-6-15(10-17)18-5/h8-9,15,18H,6-7,10-11H2,1-5H3.
What are the key properties of N,3-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine?
N,3-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 3.93, 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-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 116539047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).