3-(2-ethylcyclohexyl)-3-methyl-N-propylcyclopentan-1-amine

C17H33N — CID 116539686

IUPAC3-(2-ethylcyclohexyl)-3-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(C2CCCCC2CC)C1
InChIInChI=1S/C17H33N/c1-4-12-18-15-10-11-17(3,13-15)16-9-7-6-8-14(16)5-2/h14-16,18H,4-13H2,1-3H3
InChIKeyFHJUSFXOUOGSFB-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.76
Rot. Bonds5

About 3-(2-ethylcyclohexyl)-3-methyl-N-propylcyclopentan-1-amine

3-(2-ethylcyclohexyl)-3-methyl-N-propylcyclopentan-1-amine (PubChem CID 116539686) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 3-(2-ethylcyclohexyl)-3-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2-ethylcyclohexyl)-3-methyl-N-propylcyclopentan-1-amine
PubChem CID116539686
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name3-(2-ethylcyclohexyl)-3-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(C2CCCCC2CC)C1
InChIInChI=1S/C17H33N/c1-4-12-18-15-10-11-17(3,13-15)16-9-7-6-8-14(16)5-2/h14-16,18H,4-13H2,1-3H3
InChIKeyFHJUSFXOUOGSFB-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylcyclohexyl)-3-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(2-ethylcyclohexyl)-3-methyl-N-propylcyclopentan-1-amine (CID 116539686) is 3-(2-ethylcyclohexyl)-3-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(2-ethylcyclohexyl)-3-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(2-ethylcyclohexyl)-3-methyl-N-propylcyclopentan-1-amine is CCCNC1CCC(C)(C2CCCCC2CC)C1.
What is the InChIKey of 3-(2-ethylcyclohexyl)-3-methyl-N-propylcyclopentan-1-amine?
The InChIKey is FHJUSFXOUOGSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-4-12-18-15-10-11-17(3,13-15)16-9-7-6-8-14(16)5-2/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 3-(2-ethylcyclohexyl)-3-methyl-N-propylcyclopentan-1-amine?
3-(2-ethylcyclohexyl)-3-methyl-N-propylcyclopentan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylcyclohexyl)-3-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 116539686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).