1-[[(3-methoxy-3-methylbutyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine

C14H30N2O — CID 103033535

IUPAC1-[[(3-methoxy-3-methylbutyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCOC(C)(C)CCNCC1(N(C)C)CCCC1
InChIInChI=1S/C14H30N2O/c1-13(2,17-5)10-11-15-12-14(16(3)4)8-6-7-9-14/h15H,6-12H2,1-5H3
InChIKeyDWDJTNRAEZICBV-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.27
Rot. Bonds7

About 1-[[(3-methoxy-3-methylbutyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine

1-[[(3-methoxy-3-methylbutyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 103033535) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-[[(3-methoxy-3-methylbutyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[[(3-methoxy-3-methylbutyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID103033535
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-[[(3-methoxy-3-methylbutyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCOC(C)(C)CCNCC1(N(C)C)CCCC1
InChIInChI=1S/C14H30N2O/c1-13(2,17-5)10-11-15-12-14(16(3)4)8-6-7-9-14/h15H,6-12H2,1-5H3
InChIKeyDWDJTNRAEZICBV-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3-methoxy-3-methylbutyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[[(3-methoxy-3-methylbutyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine (CID 103033535) is 1-[[(3-methoxy-3-methylbutyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[[(3-methoxy-3-methylbutyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[[(3-methoxy-3-methylbutyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine is COC(C)(C)CCNCC1(N(C)C)CCCC1.
What is the InChIKey of 1-[[(3-methoxy-3-methylbutyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is DWDJTNRAEZICBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(2,17-5)10-11-15-12-14(16(3)4)8-6-7-9-14/h15H,6-12H2,1-5H3.
What are the key properties of 1-[[(3-methoxy-3-methylbutyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine?
1-[[(3-methoxy-3-methylbutyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-methoxy-3-methylbutyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 103033535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).