4-methoxy-N,4-dimethyl-1-(4-propylcyclohexyl)pentan-1-amine

C17H35NO — CID 103035726

IUPAC4-methoxy-N,4-dimethyl-1-(4-propylcyclohexyl)pentan-1-amine
SMILESCCCC1CCC(C(CCC(C)(C)OC)NC)CC1
InChIInChI=1S/C17H35NO/c1-6-7-14-8-10-15(11-9-14)16(18-4)12-13-17(2,3)19-5/h14-16,18H,6-13H2,1-5H3
InChIKeyLEEGVXDVRPUCJZ-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.39
Rot. Bonds8

About 4-methoxy-N,4-dimethyl-1-(4-propylcyclohexyl)pentan-1-amine

4-methoxy-N,4-dimethyl-1-(4-propylcyclohexyl)pentan-1-amine (PubChem CID 103035726) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 4-methoxy-N,4-dimethyl-1-(4-propylcyclohexyl)pentan-1-amine.

Molecular Properties

Compound Name4-methoxy-N,4-dimethyl-1-(4-propylcyclohexyl)pentan-1-amine
PubChem CID103035726
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name4-methoxy-N,4-dimethyl-1-(4-propylcyclohexyl)pentan-1-amine
SMILESCCCC1CCC(C(CCC(C)(C)OC)NC)CC1
InChIInChI=1S/C17H35NO/c1-6-7-14-8-10-15(11-9-14)16(18-4)12-13-17(2,3)19-5/h14-16,18H,6-13H2,1-5H3
InChIKeyLEEGVXDVRPUCJZ-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,4-dimethyl-1-(4-propylcyclohexyl)pentan-1-amine?
The IUPAC name of 4-methoxy-N,4-dimethyl-1-(4-propylcyclohexyl)pentan-1-amine (CID 103035726) is 4-methoxy-N,4-dimethyl-1-(4-propylcyclohexyl)pentan-1-amine.
What is the SMILES notation for 4-methoxy-N,4-dimethyl-1-(4-propylcyclohexyl)pentan-1-amine?
The canonical SMILES for 4-methoxy-N,4-dimethyl-1-(4-propylcyclohexyl)pentan-1-amine is CCCC1CCC(C(CCC(C)(C)OC)NC)CC1.
What is the InChIKey of 4-methoxy-N,4-dimethyl-1-(4-propylcyclohexyl)pentan-1-amine?
The InChIKey is LEEGVXDVRPUCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-6-7-14-8-10-15(11-9-14)16(18-4)12-13-17(2,3)19-5/h14-16,18H,6-13H2,1-5H3.
What are the key properties of 4-methoxy-N,4-dimethyl-1-(4-propylcyclohexyl)pentan-1-amine?
4-methoxy-N,4-dimethyl-1-(4-propylcyclohexyl)pentan-1-amine has a molecular weight of 269.47 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 4-methoxy-N,4-dimethyl-1-(4-propylcyclohexyl)pentan-1-amine is sourced from PubChem (CID 103035726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).