N-[[2-(ethylamino)-5-propan-2-ylcyclohexyl]methyl]-N-methyloxolan-3-amine

C17H34N2O — CID 82744332

IUPACN-[[2-(ethylamino)-5-propan-2-ylcyclohexyl]methyl]-N-methyloxolan-3-amine
SMILESCCNC1CCC(C(C)C)CC1CN(C)C1CCOC1
InChIInChI=1S/C17H34N2O/c1-5-18-17-7-6-14(13(2)3)10-15(17)11-19(4)16-8-9-20-12-16/h13-18H,5-12H2,1-4H3
InChIKeyVRCJDNCEVFFHLS-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.76
Rot. Bonds6

About N-[[2-(ethylamino)-5-propan-2-ylcyclohexyl]methyl]-N-methyloxolan-3-amine

N-[[2-(ethylamino)-5-propan-2-ylcyclohexyl]methyl]-N-methyloxolan-3-amine (PubChem CID 82744332) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-[[2-(ethylamino)-5-propan-2-ylcyclohexyl]methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[[2-(ethylamino)-5-propan-2-ylcyclohexyl]methyl]-N-methyloxolan-3-amine
PubChem CID82744332
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[[2-(ethylamino)-5-propan-2-ylcyclohexyl]methyl]-N-methyloxolan-3-amine
SMILESCCNC1CCC(C(C)C)CC1CN(C)C1CCOC1
InChIInChI=1S/C17H34N2O/c1-5-18-17-7-6-14(13(2)3)10-15(17)11-19(4)16-8-9-20-12-16/h13-18H,5-12H2,1-4H3
InChIKeyVRCJDNCEVFFHLS-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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)-5-propan-2-ylcyclohexyl]methyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[[2-(ethylamino)-5-propan-2-ylcyclohexyl]methyl]-N-methyloxolan-3-amine (CID 82744332) is N-[[2-(ethylamino)-5-propan-2-ylcyclohexyl]methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[[2-(ethylamino)-5-propan-2-ylcyclohexyl]methyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[[2-(ethylamino)-5-propan-2-ylcyclohexyl]methyl]-N-methyloxolan-3-amine is CCNC1CCC(C(C)C)CC1CN(C)C1CCOC1.
What is the InChIKey of N-[[2-(ethylamino)-5-propan-2-ylcyclohexyl]methyl]-N-methyloxolan-3-amine?
The InChIKey is VRCJDNCEVFFHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-18-17-7-6-14(13(2)3)10-15(17)11-19(4)16-8-9-20-12-16/h13-18H,5-12H2,1-4H3.
What are the key properties of N-[[2-(ethylamino)-5-propan-2-ylcyclohexyl]methyl]-N-methyloxolan-3-amine?
N-[[2-(ethylamino)-5-propan-2-ylcyclohexyl]methyl]-N-methyloxolan-3-amine has a molecular weight of 282.47 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethylamino)-5-propan-2-ylcyclohexyl]methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 82744332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).