1-[1-(ethylamino)-3-(oxolan-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine

C17H34N2O — CID 79066074

IUPAC1-[1-(ethylamino)-3-(oxolan-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCNC(CCC1CCCO1)C1(N(C)C)CCCCC1
InChIInChI=1S/C17H34N2O/c1-4-18-16(11-10-15-9-8-14-20-15)17(19(2)3)12-6-5-7-13-17/h15-16,18H,4-14H2,1-3H3
InChIKeyWYDSEGKPOOAHPI-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.19
Rot. Bonds7

About 1-[1-(ethylamino)-3-(oxolan-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine

1-[1-(ethylamino)-3-(oxolan-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79066074) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-[1-(ethylamino)-3-(oxolan-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-(ethylamino)-3-(oxolan-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79066074
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-[1-(ethylamino)-3-(oxolan-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCNC(CCC1CCCO1)C1(N(C)C)CCCCC1
InChIInChI=1S/C17H34N2O/c1-4-18-16(11-10-15-9-8-14-20-15)17(19(2)3)12-6-5-7-13-17/h15-16,18H,4-14H2,1-3H3
InChIKeyWYDSEGKPOOAHPI-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(ethylamino)-4-(oxolan-2-yl)butyl]-N,N-dimethylcyclohexan-1-amine
CID 79061604
N,N-dimethyl-1-[1-(methylamino)-3-(oxolan-2-yl)propyl]cycloheptan-1-amine
CID 79081781
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(oxolan-2-yl)propan-1-amine
CID 104993519
1-[1-(dimethylamino)cyclopentyl]-4-(oxolan-2-yl)butan-1-ol
CID 79067154
1-(1-ethoxycyclohexyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 116764093
N-methyl-1-(1-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 106830218
N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164506
N-ethyl-1-(oxolan-2-yl)heptan-3-amine
CID 79404378
1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65156023
1-[1-(ethylamino)but-3-enyl]-N,N-dimethylcycloheptan-1-amine
CID 79081392
1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N-dimethylcyclopentan-1-amine
CID 115517235
1-(1-ethoxycyclopentyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 116761965

Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethylamino)-3-(oxolan-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[1-(ethylamino)-3-(oxolan-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine (CID 79066074) is 1-[1-(ethylamino)-3-(oxolan-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-(ethylamino)-3-(oxolan-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[1-(ethylamino)-3-(oxolan-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine is CCNC(CCC1CCCO1)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[1-(ethylamino)-3-(oxolan-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is WYDSEGKPOOAHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-18-16(11-10-15-9-8-14-20-15)17(19(2)3)12-6-5-7-13-17/h15-16,18H,4-14H2,1-3H3.
What are the key properties of 1-[1-(ethylamino)-3-(oxolan-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine?
1-[1-(ethylamino)-3-(oxolan-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethylamino)-3-(oxolan-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79066074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).