N-[1-(4-ethylcyclohexyl)-2,2-dimethoxyethyl]propan-1-amine

C15H31NO2 — CID 79493283

IUPACN-[1-(4-ethylcyclohexyl)-2,2-dimethoxyethyl]propan-1-amine
SMILESCCCNC(C1CCC(CC)CC1)C(OC)OC
InChIInChI=1S/C15H31NO2/c1-5-11-16-14(15(17-3)18-4)13-9-7-12(6-2)8-10-13/h12-16H,5-11H2,1-4H3
InChIKeyDXHWRSIYMVENCN-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.19
Rot. Bonds8

About N-[1-(4-ethylcyclohexyl)-2,2-dimethoxyethyl]propan-1-amine

N-[1-(4-ethylcyclohexyl)-2,2-dimethoxyethyl]propan-1-amine (PubChem CID 79493283) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[1-(4-ethylcyclohexyl)-2,2-dimethoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethylcyclohexyl)-2,2-dimethoxyethyl]propan-1-amine
PubChem CID79493283
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-[1-(4-ethylcyclohexyl)-2,2-dimethoxyethyl]propan-1-amine
SMILESCCCNC(C1CCC(CC)CC1)C(OC)OC
InChIInChI=1S/C15H31NO2/c1-5-11-16-14(15(17-3)18-4)13-9-7-12(6-2)8-10-13/h12-16H,5-11H2,1-4H3
InChIKeyDXHWRSIYMVENCN-UHFFFAOYSA-N
XLogP3.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720650
[1-(4-ethylcyclohexyl)-2,2-dimethoxyethyl]hydrazine
CID 105246025
1-(4-ethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 104990778
1-(4-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine
CID 105155222
N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 64986298
N-(2-cyclohexyl-1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 116771906
N-[2,2-diethoxy-1-(3-ethylcyclohexyl)ethyl]propan-1-amine
CID 79495323
4-(4-ethylcyclohexyl)-N-propylpentan-2-amine
CID 64774084
1-cyclopentyl-2-methoxy-N-propylbutan-1-amine
CID 116716165
1-(3-ethylcyclopentyl)-2-methyl-N-propylpentan-1-amine
CID 114013790
N-ethyl-1-(4-ethylcyclohexyl)-2-methylbutan-1-amine
CID 64775258
1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine
CID 114978751

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylcyclohexyl)-2,2-dimethoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(4-ethylcyclohexyl)-2,2-dimethoxyethyl]propan-1-amine (CID 79493283) is N-[1-(4-ethylcyclohexyl)-2,2-dimethoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-ethylcyclohexyl)-2,2-dimethoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-ethylcyclohexyl)-2,2-dimethoxyethyl]propan-1-amine is CCCNC(C1CCC(CC)CC1)C(OC)OC.
What is the InChIKey of N-[1-(4-ethylcyclohexyl)-2,2-dimethoxyethyl]propan-1-amine?
The InChIKey is DXHWRSIYMVENCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-11-16-14(15(17-3)18-4)13-9-7-12(6-2)8-10-13/h12-16H,5-11H2,1-4H3.
What are the key properties of N-[1-(4-ethylcyclohexyl)-2,2-dimethoxyethyl]propan-1-amine?
N-[1-(4-ethylcyclohexyl)-2,2-dimethoxyethyl]propan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylcyclohexyl)-2,2-dimethoxyethyl]propan-1-amine is sourced from PubChem (CID 79493283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).