2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol

C16H31NO2 — CID 62708323

IUPAC2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CN(C)CC2CCCO2)C1
InChIInChI=1S/C16H31NO2/c1-12(2)13-6-7-16(18)14(9-13)10-17(3)11-15-5-4-8-19-15/h12-16,18H,4-11H2,1-3H3
InChIKeyODUKACLKJNEWSV-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.53
Rot. Bonds5

About 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol

2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 62708323) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
PubChem CID62708323
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CN(C)CC2CCCO2)C1
InChIInChI=1S/C16H31NO2/c1-12(2)13-6-7-16(18)14(9-13)10-17(3)11-15-5-4-8-19-15/h12-16,18H,4-11H2,1-3H3
InChIKeyODUKACLKJNEWSV-UHFFFAOYSA-N
XLogP2.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol (CID 62708323) is 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(CN(C)CC2CCCO2)C1.
What is the InChIKey of 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is ODUKACLKJNEWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-12(2)13-6-7-16(18)14(9-13)10-17(3)11-15-5-4-8-19-15/h12-16,18H,4-11H2,1-3H3.
What are the key properties of 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 62708323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).