2-(aminomethyl)-2-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylcyclohexan-1-ol

C16H31NO2 — CID 116525014

IUPAC2-(aminomethyl)-2-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(CC2(CN)CCCC(C)(C)C2O)O1
InChIInChI=1S/C16H31NO2/c1-14(2)7-5-8-16(11-17,13(14)18)10-12-6-9-15(3,4)19-12/h12-13,18H,5-11,17H2,1-4H3
InChIKeyDBXZJQMJAQYVIF-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.85
Rot. Bonds3

About 2-(aminomethyl)-2-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylcyclohexan-1-ol

2-(aminomethyl)-2-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylcyclohexan-1-ol (PubChem CID 116525014) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylcyclohexan-1-ol
PubChem CID116525014
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-(aminomethyl)-2-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(CC2(CN)CCCC(C)(C)C2O)O1
InChIInChI=1S/C16H31NO2/c1-14(2)7-5-8-16(11-17,13(14)18)10-12-6-9-15(3,4)19-12/h12-13,18H,5-11,17H2,1-4H3
InChIKeyDBXZJQMJAQYVIF-UHFFFAOYSA-N
XLogP2.85
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-2-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylcyclohexan-1-ol with MolForge

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Related Compounds

2-(Aminomethyl)-6,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol
CID 79855153
2-(Aminomethyl)-6,6-dimethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-ol
CID 114277662
3-(Aminomethyl)-2-tert-butyl-1-oxaspiro[4.5]decan-3-ol
CID 67801492
2-(Aminomethyl)-2-(oxolan-2-ylmethyl)cyclohexan-1-ol
CID 65392569
2-(Aminomethyl)-2-(2-ethoxyethyl)cyclohexan-1-ol
CID 65392572
2-(Aminomethyl)-2-(2-butoxyethyl)cyclohexan-1-ol
CID 65392778
2-(Aminomethyl)-2-[3-(oxolan-2-yl)propyl]cyclohexan-1-ol
CID 65393608
2-(Aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]cyclohexan-1-ol
CID 65394016
2-(Aminomethyl)-2-[2-(3-methylbutoxy)ethyl]cyclohexan-1-ol
CID 65394643
2-(Aminomethyl)-2-(2-propan-2-yloxyethyl)cyclohexan-1-ol
CID 65395059
3-(Aminomethyl)-3-methyl-6-(oxolan-2-yl)hexan-2-ol
CID 65395079
2-(Aminomethyl)-2-(2-methoxyethyl)cyclohexan-1-ol
CID 65395474

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylcyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylcyclohexan-1-ol (CID 116525014) is 2-(aminomethyl)-2-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylcyclohexan-1-ol is CC1(C)CCC(CC2(CN)CCCC(C)(C)C2O)O1.
What is the InChIKey of 2-(aminomethyl)-2-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylcyclohexan-1-ol?
The InChIKey is DBXZJQMJAQYVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-14(2)7-5-8-16(11-17,13(14)18)10-12-6-9-15(3,4)19-12/h12-13,18H,5-11,17H2,1-4H3.
What are the key properties of 2-(aminomethyl)-2-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylcyclohexan-1-ol?
2-(aminomethyl)-2-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylcyclohexan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylcyclohexan-1-ol is sourced from PubChem (CID 116525014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).