3-(cyclohexylmethoxy)-N-methyl-N-propylbutan-1-amine

C15H31NO — CID 91126672

IUPAC3-(cyclohexylmethoxy)-N-methyl-N-propylbutan-1-amine
SMILESCCCN(C)CCC(C)OCC1CCCCC1
InChIInChI=1S/C15H31NO/c1-4-11-16(3)12-10-14(2)17-13-15-8-6-5-7-9-15/h14-15H,4-13H2,1-3H3
InChIKeySNEJWJFXRQOCIQ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.70
Rot. Bonds8

About 3-(cyclohexylmethoxy)-N-methyl-N-propylbutan-1-amine

3-(cyclohexylmethoxy)-N-methyl-N-propylbutan-1-amine (PubChem CID 91126672) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)-N-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)-N-methyl-N-propylbutan-1-amine
PubChem CID91126672
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name3-(cyclohexylmethoxy)-N-methyl-N-propylbutan-1-amine
SMILESCCCN(C)CCC(C)OCC1CCCCC1
InChIInChI=1S/C15H31NO/c1-4-11-16(3)12-10-14(2)17-13-15-8-6-5-7-9-15/h14-15H,4-13H2,1-3H3
InChIKeySNEJWJFXRQOCIQ-UHFFFAOYSA-N
XLogP3.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethoxy)-N-methyl-N-propylbutan-1-amine?
The IUPAC name of 3-(cyclohexylmethoxy)-N-methyl-N-propylbutan-1-amine (CID 91126672) is 3-(cyclohexylmethoxy)-N-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 3-(cyclohexylmethoxy)-N-methyl-N-propylbutan-1-amine?
The canonical SMILES for 3-(cyclohexylmethoxy)-N-methyl-N-propylbutan-1-amine is CCCN(C)CCC(C)OCC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethoxy)-N-methyl-N-propylbutan-1-amine?
The InChIKey is SNEJWJFXRQOCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-11-16(3)12-10-14(2)17-13-15-8-6-5-7-9-15/h14-15H,4-13H2,1-3H3.
What are the key properties of 3-(cyclohexylmethoxy)-N-methyl-N-propylbutan-1-amine?
3-(cyclohexylmethoxy)-N-methyl-N-propylbutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)-N-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 91126672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).