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

C17H27N — CID 114544213

IUPAC3,3-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
SMILESCc1cc(C)c(CNC2CCC(C)(C)C2)c(C)c1
InChIInChI=1S/C17H27N/c1-12-8-13(2)16(14(3)9-12)11-18-15-6-7-17(4,5)10-15/h8-9,15,18H,6-7,10-11H2,1-5H3
InChIKeyKZDNUOKSMHXUFJ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.28
Rot. Bonds3

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

3,3-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine (PubChem CID 114544213) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
PubChem CID114544213
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name3,3-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
SMILESCc1cc(C)c(CNC2CCC(C)(C)C2)c(C)c1
InChIInChI=1S/C17H27N/c1-12-8-13(2)16(14(3)9-12)11-18-15-6-7-17(4,5)10-15/h8-9,15,18H,6-7,10-11H2,1-5H3
InChIKeyKZDNUOKSMHXUFJ-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-4-amine
CID 115145488
N-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544212
N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine
CID 43082188
(5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 97255391
N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544151
2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 79861537
4-ethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
CID 63453897
2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
CID 79861658
1,1-dioxo-N-[(2,4,6-trimethylphenyl)methyl]thian-4-amine
CID 43614931
3-methyl-N-propyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 116539638
N,3-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 116539047
3,3-dimethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopentan-1-amine
CID 114544332

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine (CID 114544213) is 3,3-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine is Cc1cc(C)c(CNC2CCC(C)(C)C2)c(C)c1.
What is the InChIKey of 3,3-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is KZDNUOKSMHXUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12-8-13(2)16(14(3)9-12)11-18-15-6-7-17(4,5)10-15/h8-9,15,18H,6-7,10-11H2,1-5H3.
What are the key properties of 3,3-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine?
3,3-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 114544213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).