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

C17H35NO — CID 105155222

IUPAC1-(4-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)OC)C1CCC(CC)CC1
InChIInChI=1S/C17H35NO/c1-5-13-18-17(12-7-14(3)19-4)16-10-8-15(6-2)9-11-16/h14-18H,5-13H2,1-4H3
InChIKeyBSHIQAXUCBMURZ-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.39
Rot. Bonds9

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

1-(4-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine (PubChem CID 105155222) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine
PubChem CID105155222
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name1-(4-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)OC)C1CCC(CC)CC1
InChIInChI=1S/C17H35NO/c1-5-13-18-17(12-7-14(3)19-4)16-10-8-15(6-2)9-11-16/h14-18H,5-13H2,1-4H3
InChIKeyBSHIQAXUCBMURZ-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-propylpentan-1-amine
CID 105156081
1-(4-ethylcyclohexyl)-N-propylpent-4-yn-1-amine
CID 65395607
4-methyl-N-propyl-1-(4-propylcyclohexyl)pentan-1-amine
CID 65424745
N-[1-(4-ethylcyclohexyl)-2,2-dimethoxyethyl]propan-1-amine
CID 79493283
1-(4-ethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720650
1-(4-ethylcyclohexyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 64776046
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983
3-cyclopentyl-1-cyclopropyl-N-propylpropan-1-amine
CID 63354880
N-[2-cyclopropyl-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 64907023
1-cyclopropyl-N-propyltridecan-1-amine
CID 63413531
4-(4-ethylcyclohexyl)-N-propylpentan-2-amine
CID 64774084
1-(4-ethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 104990778

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine?
The IUPAC name of 1-(4-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine (CID 105155222) is 1-(4-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine is CCCNC(CCC(C)OC)C1CCC(CC)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine?
The InChIKey is BSHIQAXUCBMURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-5-13-18-17(12-7-14(3)19-4)16-10-8-15(6-2)9-11-16/h14-18H,5-13H2,1-4H3.
What are the key properties of 1-(4-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine?
1-(4-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-(4-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine is sourced from PubChem (CID 105155222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).