1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine

C17H35NO — CID 105156081

IUPAC1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)OC)C1CCCC(CC)C1
InChIInChI=1S/C17H35NO/c1-5-12-18-17(11-10-14(3)19-4)16-9-7-8-15(6-2)13-16/h14-18H,5-13H2,1-4H3
InChIKeySRVQXUVVFXASIL-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.39
Rot. Bonds9

About 1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine

1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine (PubChem CID 105156081) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine
PubChem CID105156081
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)OC)C1CCCC(CC)C1
InChIInChI=1S/C17H35NO/c1-5-12-18-17(11-10-14(3)19-4)16-9-7-8-15(6-2)13-16/h14-18H,5-13H2,1-4H3
InChIKeySRVQXUVVFXASIL-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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-N-methylpentan-1-amine
CID 105156121
1-(4-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine
CID 105155222
1-(3-ethylcyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103035736
N',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine
CID 79093322
N-[1-(3-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105156181
1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 65415766
2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine
CID 64533810
1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103010677
1-(3-ethylcyclohexyl)-N-propan-2-ylpentan-1-amine
CID 79411539
N-ethyl-1-(3-ethylcyclohexyl)decan-1-amine
CID 65415153
3-ethoxy-N-ethyl-1-(3-ethylcyclohexyl)propan-1-amine
CID 105156239
3-ethyl-1-(3-ethylcyclopentyl)-N-propylpentan-1-amine
CID 82922992

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine?
The IUPAC name of 1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine (CID 105156081) is 1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine?
The canonical SMILES for 1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine is CCCNC(CCC(C)OC)C1CCCC(CC)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine?
The InChIKey is SRVQXUVVFXASIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-5-12-18-17(11-10-14(3)19-4)16-9-7-8-15(6-2)13-16/h14-18H,5-13H2,1-4H3.
What are the key properties of 1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine?
1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine is sourced from PubChem (CID 105156081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).