1-(1-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine

C14H29NO — CID 103032100

IUPAC1-(1-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine
SMILESCCC1(C(N)CCC(C)(C)OC)CCCC1
InChIInChI=1S/C14H29NO/c1-5-14(9-6-7-10-14)12(15)8-11-13(2,3)16-4/h12H,5-11,15H2,1-4H3
InChIKeyKOACZAWAFDJHFW-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.49
Rot. Bonds6

About 1-(1-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine

1-(1-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine (PubChem CID 103032100) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-(1-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(1-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine
PubChem CID103032100
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-(1-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine
SMILESCCC1(C(N)CCC(C)(C)OC)CCCC1
InChIInChI=1S/C14H29NO/c1-5-14(9-6-7-10-14)12(15)8-11-13(2,3)16-4/h12H,5-11,15H2,1-4H3
InChIKeyKOACZAWAFDJHFW-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(1-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine (CID 103032100) is 1-(1-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(1-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(1-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine is CCC1(C(N)CCC(C)(C)OC)CCCC1.
What is the InChIKey of 1-(1-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine?
The InChIKey is KOACZAWAFDJHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-14(9-6-7-10-14)12(15)8-11-13(2,3)16-4/h12H,5-11,15H2,1-4H3.
What are the key properties of 1-(1-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine?
1-(1-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103032100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).