N-[[1-(2-ethylcyclohexyl)oxycyclohexyl]methyl]cyclopropanamine

C18H33NO — CID 63473906

IUPACN-[[1-(2-ethylcyclohexyl)oxycyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCCCC1OC1(CNC2CC2)CCCCC1
InChIInChI=1S/C18H33NO/c1-2-15-8-4-5-9-17(15)20-18(12-6-3-7-13-18)14-19-16-10-11-16/h15-17,19H,2-14H2,1H3
InChIKeyMHZUPCDRGYNOQN-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.43
Rot. Bonds6

About N-[[1-(2-ethylcyclohexyl)oxycyclohexyl]methyl]cyclopropanamine

N-[[1-(2-ethylcyclohexyl)oxycyclohexyl]methyl]cyclopropanamine (PubChem CID 63473906) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[[1-(2-ethylcyclohexyl)oxycyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-ethylcyclohexyl)oxycyclohexyl]methyl]cyclopropanamine
PubChem CID63473906
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-[[1-(2-ethylcyclohexyl)oxycyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCCCC1OC1(CNC2CC2)CCCCC1
InChIInChI=1S/C18H33NO/c1-2-15-8-4-5-9-17(15)20-18(12-6-3-7-13-18)14-19-16-10-11-16/h15-17,19H,2-14H2,1H3
InChIKeyMHZUPCDRGYNOQN-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-methylcyclohexyl)oxycycloheptyl]methyl]cyclopropanamine
CID 63476043
N-[[1-(oxetan-3-yloxy)cycloheptyl]methyl]cyclopropanamine
CID 102607763
2-[1-(2-ethylcyclohexyl)oxycyclobutyl]acetic acid
CID 103272485
N-[(1-propoxycyclopentyl)methyl]cyclopropanamine
CID 62107293
N-[(1-butoxycycloheptyl)methyl]cyclopropanamine
CID 62107297
1-(bromomethyl)-1-(2-ethylcyclohexyl)oxy-4-propylcyclohexane
CID 63470253
N-[(1-octoxycyclohexyl)methyl]cyclopropanamine
CID 63476268
N-[[1-(oxolan-3-yloxy)cyclohexyl]methyl]cyclopropanamine
CID 63557278
N-[(1-cyclohexyloxycyclopentyl)methyl]ethanamine
CID 62108064
N-[[1-(2-methylcyclohexyl)oxycyclohexyl]methyl]propan-1-amine
CID 63473534
1-(1-cycloheptyloxycyclohexyl)-N-methylmethanamine
CID 62110565
N-[(1-methoxycyclobutyl)methyl]-4-propylcyclohexan-1-amine
CID 103991695

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylcyclohexyl)oxycyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-ethylcyclohexyl)oxycyclohexyl]methyl]cyclopropanamine (CID 63473906) is N-[[1-(2-ethylcyclohexyl)oxycyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-ethylcyclohexyl)oxycyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-ethylcyclohexyl)oxycyclohexyl]methyl]cyclopropanamine is CCC1CCCCC1OC1(CNC2CC2)CCCCC1.
What is the InChIKey of N-[[1-(2-ethylcyclohexyl)oxycyclohexyl]methyl]cyclopropanamine?
The InChIKey is MHZUPCDRGYNOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-2-15-8-4-5-9-17(15)20-18(12-6-3-7-13-18)14-19-16-10-11-16/h15-17,19H,2-14H2,1H3.
What are the key properties of N-[[1-(2-ethylcyclohexyl)oxycyclohexyl]methyl]cyclopropanamine?
N-[[1-(2-ethylcyclohexyl)oxycyclohexyl]methyl]cyclopropanamine has a molecular weight of 279.47 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylcyclohexyl)oxycyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 63473906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).