N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanamine

C14H29NO — CID 176728249

IUPACN,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanamine
SMILESCN(C)CCC1CCC(OC(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-14(2,3)16-13-8-6-12(7-9-13)10-11-15(4)5/h12-13H,6-11H2,1-5H3
InChIKeyGBBZLRMMRRXISV-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.31
Rot. Bonds4

About N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanamine

N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanamine (PubChem CID 176728249) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanamine
PubChem CID176728249
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanamine
SMILESCN(C)CCC1CCC(OC(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-14(2,3)16-13-8-6-12(7-9-13)10-11-15(4)5/h12-13H,6-11H2,1-5H3
InChIKeyGBBZLRMMRRXISV-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanamine (CID 176728249) is N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanamine is CN(C)CCC1CCC(OC(C)(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanamine?
The InChIKey is GBBZLRMMRRXISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-14(2,3)16-13-8-6-12(7-9-13)10-11-15(4)5/h12-13H,6-11H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanamine?
N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanamine has a molecular weight of 227.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanamine is sourced from PubChem (CID 176728249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).