N-ethyl-2-(2-methylpentoxy)-4-propylcyclohexan-1-amine

C17H35NO — CID 103283501

IUPACN-ethyl-2-(2-methylpentoxy)-4-propylcyclohexan-1-amine
SMILESCCCC(C)COC1CC(CCC)CCC1NCC
InChIInChI=1S/C17H35NO/c1-5-8-14(4)13-19-17-12-15(9-6-2)10-11-16(17)18-7-3/h14-18H,5-13H2,1-4H3
InChIKeyQFGOEIAAURVRBN-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.39
Rot. Bonds9

About N-ethyl-2-(2-methylpentoxy)-4-propylcyclohexan-1-amine

N-ethyl-2-(2-methylpentoxy)-4-propylcyclohexan-1-amine (PubChem CID 103283501) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-ethyl-2-(2-methylpentoxy)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylpentoxy)-4-propylcyclohexan-1-amine
PubChem CID103283501
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-ethyl-2-(2-methylpentoxy)-4-propylcyclohexan-1-amine
SMILESCCCC(C)COC1CC(CCC)CCC1NCC
InChIInChI=1S/C17H35NO/c1-5-8-14(4)13-19-17-12-15(9-6-2)10-11-16(17)18-7-3/h14-18H,5-13H2,1-4H3
InChIKeyQFGOEIAAURVRBN-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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylpentoxy)-4-propylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-(2-methylpentoxy)-4-propylcyclohexan-1-amine (CID 103283501) is N-ethyl-2-(2-methylpentoxy)-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-methylpentoxy)-4-propylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-(2-methylpentoxy)-4-propylcyclohexan-1-amine is CCCC(C)COC1CC(CCC)CCC1NCC.
What is the InChIKey of N-ethyl-2-(2-methylpentoxy)-4-propylcyclohexan-1-amine?
The InChIKey is QFGOEIAAURVRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-5-8-14(4)13-19-17-12-15(9-6-2)10-11-16(17)18-7-3/h14-18H,5-13H2,1-4H3.
What are the key properties of N-ethyl-2-(2-methylpentoxy)-4-propylcyclohexan-1-amine?
N-ethyl-2-(2-methylpentoxy)-4-propylcyclohexan-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 N-ethyl-2-(2-methylpentoxy)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 103283501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).