N,4-diethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine

C17H34N2O — CID 62609986

IUPACN,4-diethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1CN(C)CC1CCCO1
InChIInChI=1S/C17H34N2O/c1-4-14-8-9-17(18-5-2)15(11-14)12-19(3)13-16-7-6-10-20-16/h14-18H,4-13H2,1-3H3
InChIKeyPCVCAOLUTOKXQP-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds7

About N,4-diethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine

N,4-diethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 62609986) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N,4-diethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-diethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
PubChem CID62609986
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN,4-diethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1CN(C)CC1CCCO1
InChIInChI=1S/C17H34N2O/c1-4-14-8-9-17(18-5-2)15(11-14)12-19(3)13-16-7-6-10-20-16/h14-18H,4-13H2,1-3H3
InChIKeyPCVCAOLUTOKXQP-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 62610434
N,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 79310261
2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615673
N,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 63274181
N-ethyl-4-methyl-2-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 62549830
N,4-diethyl-2-[[methyl-(2-methylcyclohexyl)amino]methyl]cyclohexan-1-amine
CID 63493739
2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N,4-diethylcyclohexan-1-amine
CID 63494795
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N,4-diethylcyclohexan-1-amine
CID 63493475
2-[[cyclobutylmethyl(methyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63494522
2-butyl-N,4-diethylcyclohexan-1-amine
CID 63403670
2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61431165
2-[[cyclopentylmethyl(methyl)amino]methyl]-N-ethylcyclopentan-1-amine
CID 63631296

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of N,4-diethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine (CID 62609986) is N,4-diethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,4-diethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for N,4-diethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine is CCNC1CCC(CC)CC1CN(C)CC1CCCO1.
What is the InChIKey of N,4-diethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is PCVCAOLUTOKXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-14-8-9-17(18-5-2)15(11-14)12-19(3)13-16-7-6-10-20-16/h14-18H,4-13H2,1-3H3.
What are the key properties of N,4-diethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine?
N,4-diethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62609986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).