N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,2-dimethylcyclohexan-1-amine

C16H32N2O — CID 62261031

IUPACN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCCNCC1(CN(C)C2CCCCC2C)CCOC1
InChIInChI=1S/C16H32N2O/c1-4-17-11-16(9-10-19-13-16)12-18(3)15-8-6-5-7-14(15)2/h14-15,17H,4-13H2,1-3H3
InChIKeyJWJFSNHMTGYXJF-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds6

About N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,2-dimethylcyclohexan-1-amine

N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,2-dimethylcyclohexan-1-amine (PubChem CID 62261031) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,2-dimethylcyclohexan-1-amine
PubChem CID62261031
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCCNCC1(CN(C)C2CCCCC2C)CCOC1
InChIInChI=1S/C16H32N2O/c1-4-17-11-16(9-10-19-13-16)12-18(3)15-8-6-5-7-14(15)2/h14-15,17H,4-13H2,1-3H3
InChIKeyJWJFSNHMTGYXJF-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,2-dimethylcyclohexan-1-amine (CID 62261031) is N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,2-dimethylcyclohexan-1-amine is CCNCC1(CN(C)C2CCCCC2C)CCOC1.
What is the InChIKey of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
The InChIKey is JWJFSNHMTGYXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-17-11-16(9-10-19-13-16)12-18(3)15-8-6-5-7-14(15)2/h14-15,17H,4-13H2,1-3H3.
What are the key properties of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,2-dimethylcyclohexan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 62261031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).