2-(2-methylcyclohexyl)oxy-N-propan-2-ylpropan-1-amine

C13H27NO — CID 62444144

IUPAC2-(2-methylcyclohexyl)oxy-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)OC1CCCCC1C
InChIInChI=1S/C13H27NO/c1-10(2)14-9-12(4)15-13-8-6-5-7-11(13)3/h10-14H,5-9H2,1-4H3
InChIKeyGGKOAMLKDRFJHV-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds5

About 2-(2-methylcyclohexyl)oxy-N-propan-2-ylpropan-1-amine

2-(2-methylcyclohexyl)oxy-N-propan-2-ylpropan-1-amine (PubChem CID 62444144) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-(2-methylcyclohexyl)oxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(2-methylcyclohexyl)oxy-N-propan-2-ylpropan-1-amine
PubChem CID62444144
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-(2-methylcyclohexyl)oxy-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)OC1CCCCC1C
InChIInChI=1S/C13H27NO/c1-10(2)14-9-12(4)15-13-8-6-5-7-11(13)3/h10-14H,5-9H2,1-4H3
InChIKeyGGKOAMLKDRFJHV-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylcyclohexyl)oxy-N-propan-2-ylbutan-1-amine
CID 62444537
2-(2-ethylcyclohexyl)oxy-N-propan-2-ylpropan-1-amine
CID 62444152
N-[2-(2-methylcyclohexyl)oxy-2-phenylethyl]propan-2-amine
CID 62108282
2-(2-ethylcyclohexyl)oxy-N-methylpropan-1-amine
CID 62443960
2-(2-methylcyclohexyl)oxypropanehydrazide
CID 63574553
2-N,3-dimethyl-2-N-(2-methylcyclohexyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 55072677
1-(2-methylcyclohexyl)oxy-3-(pent-4-yn-2-ylamino)propan-2-ol
CID 113477406
N-[2-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine
CID 55072973
1-(2-methylcyclohexyl)oxy-3-(2-methylpropylamino)propan-2-ol
CID 60635615
1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 81388573
1-(1-cyclohexylethylamino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 62406813
trans-(1R,2R)-1-methoxy-2-methylcyclohexane
CID 12546407

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclohexyl)oxy-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(2-methylcyclohexyl)oxy-N-propan-2-ylpropan-1-amine (CID 62444144) is 2-(2-methylcyclohexyl)oxy-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(2-methylcyclohexyl)oxy-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(2-methylcyclohexyl)oxy-N-propan-2-ylpropan-1-amine is CC(C)NCC(C)OC1CCCCC1C.
What is the InChIKey of 2-(2-methylcyclohexyl)oxy-N-propan-2-ylpropan-1-amine?
The InChIKey is GGKOAMLKDRFJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)14-9-12(4)15-13-8-6-5-7-11(13)3/h10-14H,5-9H2,1-4H3.
What are the key properties of 2-(2-methylcyclohexyl)oxy-N-propan-2-ylpropan-1-amine?
2-(2-methylcyclohexyl)oxy-N-propan-2-ylpropan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclohexyl)oxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62444144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).