1-[1-(ethylamino)-4-(oxolan-2-yl)butyl]-N,N-dimethylcyclohexan-1-amine

C18H36N2O — CID 79061604

IUPAC1-[1-(ethylamino)-4-(oxolan-2-yl)butyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCNC(CCCC1CCCO1)C1(N(C)C)CCCCC1
InChIInChI=1S/C18H36N2O/c1-4-19-17(12-8-10-16-11-9-15-21-16)18(20(2)3)13-6-5-7-14-18/h16-17,19H,4-15H2,1-3H3
InChIKeyJMJVPKGSLBDGIZ-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.58
Rot. Bonds8

About 1-[1-(ethylamino)-4-(oxolan-2-yl)butyl]-N,N-dimethylcyclohexan-1-amine

1-[1-(ethylamino)-4-(oxolan-2-yl)butyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79061604) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-[1-(ethylamino)-4-(oxolan-2-yl)butyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-(ethylamino)-4-(oxolan-2-yl)butyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79061604
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-[1-(ethylamino)-4-(oxolan-2-yl)butyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCNC(CCCC1CCCO1)C1(N(C)C)CCCCC1
InChIInChI=1S/C18H36N2O/c1-4-19-17(12-8-10-16-11-9-15-21-16)18(20(2)3)13-6-5-7-14-18/h16-17,19H,4-15H2,1-3H3
InChIKeyJMJVPKGSLBDGIZ-UHFFFAOYSA-N
XLogP3.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(ethylamino)-3-(oxolan-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine
CID 79066074
N,N-dimethyl-1-[1-(methylamino)-3-(oxolan-2-yl)propyl]cycloheptan-1-amine
CID 79081781
1-(1-ethoxycyclohexyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 116764093
1-[1-(dimethylamino)cyclopentyl]-4-(oxolan-2-yl)butan-1-ol
CID 79067154
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(oxolan-2-yl)propan-1-amine
CID 104993519
[1-(1-ethoxycycloheptyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105278474
1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N-dimethylcyclopentan-1-amine
CID 115517235
N-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine
CID 65164289
[1-[1-(2-methylpropyl)cyclopentyl]-4-(oxolan-2-yl)butyl]hydrazine
CID 105314113
1-(1-ethoxycyclopentyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 116762435
N-ethyl-1-methoxy-5-(oxolan-2-yl)pentan-2-amine
CID 65161819
1-[1-(ethylamino)heptyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79074441

Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethylamino)-4-(oxolan-2-yl)butyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[1-(ethylamino)-4-(oxolan-2-yl)butyl]-N,N-dimethylcyclohexan-1-amine (CID 79061604) is 1-[1-(ethylamino)-4-(oxolan-2-yl)butyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-(ethylamino)-4-(oxolan-2-yl)butyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[1-(ethylamino)-4-(oxolan-2-yl)butyl]-N,N-dimethylcyclohexan-1-amine is CCNC(CCCC1CCCO1)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[1-(ethylamino)-4-(oxolan-2-yl)butyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is JMJVPKGSLBDGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-19-17(12-8-10-16-11-9-15-21-16)18(20(2)3)13-6-5-7-14-18/h16-17,19H,4-15H2,1-3H3.
What are the key properties of 1-[1-(ethylamino)-4-(oxolan-2-yl)butyl]-N,N-dimethylcyclohexan-1-amine?
1-[1-(ethylamino)-4-(oxolan-2-yl)butyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethylamino)-4-(oxolan-2-yl)butyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79061604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).