1-(2,2-dimethylcyclopentyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine

C15H25NO — CID 107177701

IUPAC1-(2,2-dimethylcyclopentyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)oc1C)C1CCCC1(C)C
InChIInChI=1S/C15H25NO/c1-10-9-12(11(2)17-10)14(16-5)13-7-6-8-15(13,3)4/h9,13-14,16H,6-8H2,1-5H3
InChIKeyZPRISZVUOJDPFO-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.98
Rot. Bonds3

About 1-(2,2-dimethylcyclopentyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine

1-(2,2-dimethylcyclopentyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine (PubChem CID 107177701) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
PubChem CID107177701
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(2,2-dimethylcyclopentyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)oc1C)C1CCCC1(C)C
InChIInChI=1S/C15H25NO/c1-10-9-12(11(2)17-10)14(16-5)13-7-6-8-15(13,3)4/h9,13-14,16H,6-8H2,1-5H3
InChIKeyZPRISZVUOJDPFO-UHFFFAOYSA-N
XLogP3.98
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177289
1-(2,2-dimethylcyclopentyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 107191625
1-(4-bromo-2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177838
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79836949
1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 107177179
1-(2,4-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177661
1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177171
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177185
[cycloheptyl-(2,5-dimethylfuran-3-yl)methyl]hydrazine
CID 105330649
1-(2,2-dimethylcyclopentyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 107188518
1-(2,5-dimethylfuran-3-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 64906824
1-(2,2-dimethylcyclopentyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 107188705

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine (CID 107177701) is 1-(2,2-dimethylcyclopentyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine is CNC(c1cc(C)oc1C)C1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The InChIKey is ZPRISZVUOJDPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10-9-12(11(2)17-10)14(16-5)13-7-6-8-15(13,3)4/h9,13-14,16H,6-8H2,1-5H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
1-(2,2-dimethylcyclopentyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine is sourced from PubChem (CID 107177701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).