N-[2,2-diethoxy-1-(3-ethylcyclohexyl)ethyl]propan-1-amine

C17H35NO2 — CID 79495323

IUPACN-[2,2-diethoxy-1-(3-ethylcyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(C1CCCC(CC)C1)C(OCC)OCC
InChIInChI=1S/C17H35NO2/c1-5-12-18-16(17(19-7-3)20-8-4)15-11-9-10-14(6-2)13-15/h14-18H,5-13H2,1-4H3
InChIKeyXKEJKNNJXAKSFR-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.97
Rot. Bonds10

About N-[2,2-diethoxy-1-(3-ethylcyclohexyl)ethyl]propan-1-amine

N-[2,2-diethoxy-1-(3-ethylcyclohexyl)ethyl]propan-1-amine (PubChem CID 79495323) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is N-[2,2-diethoxy-1-(3-ethylcyclohexyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,2-diethoxy-1-(3-ethylcyclohexyl)ethyl]propan-1-amine
PubChem CID79495323
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC NameN-[2,2-diethoxy-1-(3-ethylcyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(C1CCCC(CC)C1)C(OCC)OCC
InChIInChI=1S/C17H35NO2/c1-5-12-18-16(17(19-7-3)20-8-4)15-11-9-10-14(6-2)13-15/h14-18H,5-13H2,1-4H3
InChIKeyXKEJKNNJXAKSFR-UHFFFAOYSA-N
XLogP3.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.97
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

2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine
CID 64533810
N-[1-(3-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105156181
[2-ethoxy-1-(3-ethylcyclohexyl)-3,3-dimethylbutyl]hydrazine
CID 105273762
2-ethoxy-1-(3-methylcyclohexyl)-N-propylpentan-1-amine
CID 116718254
1-(3-ethylcyclohexyl)-3-methyl-N-propylbut-2-en-1-amine
CID 79177299
1-(3-ethylcyclopentyl)-2-methyl-N-propylpentan-1-amine
CID 114013790
1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine
CID 105156081
1-[(3-ethylcyclohexyl)-(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79058669
N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 64986298
N-[1-(4-ethylcyclohexyl)-2,2-dimethoxyethyl]propan-1-amine
CID 79493283
N',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine
CID 79093322
1-(3-ethylcyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103035736

Frequently Asked Questions

What is the IUPAC name of N-[2,2-diethoxy-1-(3-ethylcyclohexyl)ethyl]propan-1-amine?
The IUPAC name of N-[2,2-diethoxy-1-(3-ethylcyclohexyl)ethyl]propan-1-amine (CID 79495323) is N-[2,2-diethoxy-1-(3-ethylcyclohexyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2,2-diethoxy-1-(3-ethylcyclohexyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2,2-diethoxy-1-(3-ethylcyclohexyl)ethyl]propan-1-amine is CCCNC(C1CCCC(CC)C1)C(OCC)OCC.
What is the InChIKey of N-[2,2-diethoxy-1-(3-ethylcyclohexyl)ethyl]propan-1-amine?
The InChIKey is XKEJKNNJXAKSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-5-12-18-16(17(19-7-3)20-8-4)15-11-9-10-14(6-2)13-15/h14-18H,5-13H2,1-4H3.
What are the key properties of N-[2,2-diethoxy-1-(3-ethylcyclohexyl)ethyl]propan-1-amine?
N-[2,2-diethoxy-1-(3-ethylcyclohexyl)ethyl]propan-1-amine has a molecular weight of 285.47 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-diethoxy-1-(3-ethylcyclohexyl)ethyl]propan-1-amine is sourced from PubChem (CID 79495323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).