N-[1-(3-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine

C17H35NO — CID 105156181

IUPACN-[1-(3-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
SMILESCCCNC(COC(C)(C)C)C1CCCC(CC)C1
InChIInChI=1S/C17H35NO/c1-6-11-18-16(13-19-17(3,4)5)15-10-8-9-14(7-2)12-15/h14-16,18H,6-13H2,1-5H3
InChIKeyRFDBSUNDWKCSLA-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.39
Rot. Bonds7

About N-[1-(3-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine

N-[1-(3-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine (PubChem CID 105156181) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-[1-(3-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
PubChem CID105156181
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-[1-(3-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
SMILESCCCNC(COC(C)(C)C)C1CCCC(CC)C1
InChIInChI=1S/C17H35NO/c1-6-11-18-16(13-19-17(3,4)5)15-10-8-9-14(7-2)12-15/h14-16,18H,6-13H2,1-5H3
InChIKeyRFDBSUNDWKCSLA-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylcyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103035736
N-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine
CID 107139090
1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine
CID 105156081
N',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine
CID 79093322
N-[2,2-diethoxy-1-(3-ethylcyclohexyl)ethyl]propan-1-amine
CID 79495323
2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine
CID 64533810
1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 65415766
3-ethyl-1-(3-ethylcyclopentyl)-N-propylpentan-1-amine
CID 82922992
N-(1-cyclopentyl-2-propan-2-yloxyethyl)propan-1-amine
CID 79574942
N-[1-(3-ethylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824497
1-(3-ethylcyclohexyl)-3-methyl-N-propylbut-2-en-1-amine
CID 79177299
N-(1-cyclobutyl-2-propoxyethyl)propan-1-amine
CID 79574757

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine (CID 105156181) is N-[1-(3-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine is CCCNC(COC(C)(C)C)C1CCCC(CC)C1.
What is the InChIKey of N-[1-(3-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine?
The InChIKey is RFDBSUNDWKCSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-6-11-18-16(13-19-17(3,4)5)15-10-8-9-14(7-2)12-15/h14-16,18H,6-13H2,1-5H3.
What are the key properties of N-[1-(3-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine?
N-[1-(3-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine is sourced from PubChem (CID 105156181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).