1-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-N,N-dimethylcyclopentan-1-amine

C15H32N2O — CID 81300621

IUPAC1-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCOC(C)(C)CC(C)NCC1(N(C)C)CCCC1
InChIInChI=1S/C15H32N2O/c1-13(11-14(2,3)18-6)16-12-15(17(4)5)9-7-8-10-15/h13,16H,7-12H2,1-6H3
InChIKeyNLFATXVPSPMGED-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.65
Rot. Bonds7

About 1-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-N,N-dimethylcyclopentan-1-amine

1-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 81300621) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID81300621
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCOC(C)(C)CC(C)NCC1(N(C)C)CCCC1
InChIInChI=1S/C15H32N2O/c1-13(11-14(2,3)18-6)16-12-15(17(4)5)9-7-8-10-15/h13,16H,7-12H2,1-6H3
InChIKeyNLFATXVPSPMGED-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-N,N-dimethylcyclopentan-1-amine (CID 81300621) is 1-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-N,N-dimethylcyclopentan-1-amine is COC(C)(C)CC(C)NCC1(N(C)C)CCCC1.
What is the InChIKey of 1-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is NLFATXVPSPMGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-13(11-14(2,3)18-6)16-12-15(17(4)5)9-7-8-10-15/h13,16H,7-12H2,1-6H3.
What are the key properties of 1-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-N,N-dimethylcyclopentan-1-amine?
1-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 81300621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).