N-[[2-(ethylamino)-4,6-dimethylcyclohexyl]methyl]-N,2-dimethyloxolan-3-amine

C17H34N2O — CID 82744008

IUPACN-[[2-(ethylamino)-4,6-dimethylcyclohexyl]methyl]-N,2-dimethyloxolan-3-amine
SMILESCCNC1CC(C)CC(C)C1CN(C)C1CCOC1C
InChIInChI=1S/C17H34N2O/c1-6-18-16-10-12(2)9-13(3)15(16)11-19(5)17-7-8-20-14(17)4/h12-18H,6-11H2,1-5H3
InChIKeyLDUNXAIDIPKIPY-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.76
Rot. Bonds5

About N-[[2-(ethylamino)-4,6-dimethylcyclohexyl]methyl]-N,2-dimethyloxolan-3-amine

N-[[2-(ethylamino)-4,6-dimethylcyclohexyl]methyl]-N,2-dimethyloxolan-3-amine (PubChem CID 82744008) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-[[2-(ethylamino)-4,6-dimethylcyclohexyl]methyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[[2-(ethylamino)-4,6-dimethylcyclohexyl]methyl]-N,2-dimethyloxolan-3-amine
PubChem CID82744008
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[[2-(ethylamino)-4,6-dimethylcyclohexyl]methyl]-N,2-dimethyloxolan-3-amine
SMILESCCNC1CC(C)CC(C)C1CN(C)C1CCOC1C
InChIInChI=1S/C17H34N2O/c1-6-18-16-10-12(2)9-13(3)15(16)11-19(5)17-7-8-20-14(17)4/h12-18H,6-11H2,1-5H3
InChIKeyLDUNXAIDIPKIPY-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethylamino)-4,6-dimethylcyclohexyl]methyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-[[2-(ethylamino)-4,6-dimethylcyclohexyl]methyl]-N,2-dimethyloxolan-3-amine (CID 82744008) is N-[[2-(ethylamino)-4,6-dimethylcyclohexyl]methyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[[2-(ethylamino)-4,6-dimethylcyclohexyl]methyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[[2-(ethylamino)-4,6-dimethylcyclohexyl]methyl]-N,2-dimethyloxolan-3-amine is CCNC1CC(C)CC(C)C1CN(C)C1CCOC1C.
What is the InChIKey of N-[[2-(ethylamino)-4,6-dimethylcyclohexyl]methyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is LDUNXAIDIPKIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-6-18-16-10-12(2)9-13(3)15(16)11-19(5)17-7-8-20-14(17)4/h12-18H,6-11H2,1-5H3.
What are the key properties of N-[[2-(ethylamino)-4,6-dimethylcyclohexyl]methyl]-N,2-dimethyloxolan-3-amine?
N-[[2-(ethylamino)-4,6-dimethylcyclohexyl]methyl]-N,2-dimethyloxolan-3-amine has a molecular weight of 282.47 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethylamino)-4,6-dimethylcyclohexyl]methyl]-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82744008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).