1-(4,4-difluorocyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine

C16H31F2NO — CID 103031508

IUPAC1-(4,4-difluorocyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1CCC(F)(F)CC1
InChIInChI=1S/C16H31F2NO/c1-5-12-19-14(8-9-15(2,3)20-4)13-6-10-16(17,18)11-7-13/h13-14,19H,5-12H2,1-4H3
InChIKeyLGWOFYSCPOAQNF-UHFFFAOYSA-N
MW291.43 g/mol
LogP4.39
Rot. Bonds8

About 1-(4,4-difluorocyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine

1-(4,4-difluorocyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine (PubChem CID 103031508) has the molecular formula C16H31F2NO and a molecular weight of 291.43 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
PubChem CID103031508
Molecular FormulaC16H31F2NO
Molecular Weight291.43 g/mol
Exact Mass291.24
IUPAC Name1-(4,4-difluorocyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1CCC(F)(F)CC1
InChIInChI=1S/C16H31F2NO/c1-5-12-19-14(8-9-15(2,3)20-4)13-6-10-16(17,18)11-7-13/h13-14,19H,5-12H2,1-4H3
InChIKeyLGWOFYSCPOAQNF-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine (CID 103031508) is 1-(4,4-difluorocyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)OC)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The InChIKey is LGWOFYSCPOAQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F2NO/c1-5-12-19-14(8-9-15(2,3)20-4)13-6-10-16(17,18)11-7-13/h13-14,19H,5-12H2,1-4H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
1-(4,4-difluorocyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine has a molecular weight of 291.43 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 103031508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).